# generated using pymatgen
data_Ca3Cu2(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.26960226
_cell_length_b   12.26960226
_cell_length_c   12.26960226
_cell_angle_alpha   161.80740200
_cell_angle_beta   161.80740200
_cell_angle_gamma   25.83867432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Cu2(BrO2)2
_chemical_formula_sum   'Ca3 Cu2 Br2 O4'
_cell_volume   179.99001934
_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
  Ca  Ca0  1  0.86742600  0.86742600  0.00000000  1.0
  Ca  Ca1  1  0.13257400  0.13257400  0.00000000  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.56576300  0.56576300  0.00000000  1.0
  Cu  Cu4  1  0.43423700  0.43423700  0.00000000  1.0
  Br  Br5  1  0.69211900  0.69211900  0.00000000  1.0
  Br  Br6  1  0.30788100  0.30788100  0.00000000  1.0
  O  O7  1  0.56784400  0.06784400  0.50000000  1.0
  O  O8  1  0.43215600  0.93215600  0.50000000  1.0
  O  O9  1  0.06784400  0.56784400  0.50000000  1.0
  O  O10  1  0.93215600  0.43215600  0.50000000  1.0