# generated using pymatgen
data_Ba(CuSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07403600
_cell_length_b   4.07403600
_cell_length_c   7.19758226
_cell_angle_alpha   106.44018438
_cell_angle_beta   106.44018438
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(CuSe)2
_chemical_formula_sum   'Ba1 Cu2 Se2'
_cell_volume   109.47774125
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu2  1  0.75000000  0.25000000  0.50000000  1.0
  Se  Se3  1  0.63713500  0.63713500  0.27427000  1.0
  Se  Se4  1  0.36286500  0.36286500  0.72573000  1.0