# generated using pymatgen
data_CuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98280440
_cell_length_b   3.98280458
_cell_length_c   3.98280312
_cell_angle_alpha   119.11886588
_cell_angle_beta   91.53310077
_cell_angle_gamma   119.11884084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBr
_chemical_formula_sum   'Cu1 Br1'
_cell_volume   45.25114147
_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
  Cu  Cu0  1  0.75000000  0.50000000  0.25000000  1.0
  Br  Br1  1  0.00000000  0.00000000  0.00000000  1.0