ATOMIC_SPECIES
Bi 83.000 ../potential/Bi_ONCV_PBE-1.0.upf
Se 34.000 ../potential/Se_ONCV_PBE-1.0.upf
Cu 29.000 ../potential/Cu_ONCV_PBE-1.0.upf
O 8.000 ../potential/O_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../potential/Bi_gga_9au_100Ry_2s2p2d.orb
../potential/Se_gga_8au_100Ry_2s2p1d.orb
../potential/Cu_gga_9au_100Ry_4s2p2d1f.orb
../potential/O_gga_7au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
1.889716

LATTICE_VECTORS
    3.92604     0.00000     0.00000
    0.00000     3.92604     0.00000
    0.00000     0.00000     8.95669

ATOMIC_POSITIONS
Direct

Bi
0.0
2
  0.2500000   0.2500000   0.1415833 1 1 1
  0.7500000   0.7500000   0.8584167 1 1 1

Se
0.0
2
  0.2500000   0.2500000   0.6754258 1 1 1
  0.7500000   0.7500000   0.3245741 1 1 1

Cu
0.0
2
  0.2500000   0.7500000   0.5000000 1 1 1
  0.7500000   0.2500000   0.5000000 1 1 1

O
0.0
2
  0.2500000   0.7500000   0.0000000 1 1 1
  0.7500000   0.2500000   0.0000000 1 1 1

