# generated using pymatgen
data_Cr2CuSe3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45435224
_cell_length_b   7.45435224
_cell_length_c   7.45435225
_cell_angle_alpha   59.96467454
_cell_angle_beta   59.96467454
_cell_angle_gamma   59.96467737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuSe3Br
_chemical_formula_sum   'Cr4 Cu2 Se6 Br2'
_cell_volume   292.66224104
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr1  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr2  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.11164800  0.11164800  0.11164800  1.0
  Cu  Cu5  1  0.88835200  0.88835200  0.88835200  1.0
  Se  Se6  1  0.74041500  0.27911100  0.74041500  1.0
  Se  Se7  1  0.27911100  0.74041500  0.74041500  1.0
  Se  Se8  1  0.74041500  0.74041500  0.27911100  1.0
  Se  Se9  1  0.25958500  0.72088900  0.25958500  1.0
  Se  Se10  1  0.72088900  0.25958500  0.25958500  1.0
  Se  Se11  1  0.25958500  0.25958500  0.72088900  1.0
  Br  Br12  1  0.74468800  0.74468800  0.74468800  1.0
  Br  Br13  1  0.25531200  0.25531200  0.25531200  1.0