# generated using pymatgen
data_Ca4Bi2Br4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06480400
_cell_length_b   4.06480400
_cell_length_c   32.91494600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Bi2Br4O3
_chemical_formula_sum   'Ca4 Bi2 Br4 O3'
_cell_volume   543.84152552
_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  0.50000000  0.50000000  0.24167100  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.75832900  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.63556100  1.0
  Ca  Ca3  1  0.50000000  0.50000000  0.36443900  1.0
  Bi  Bi4  1  0.50000000  0.50000000  0.06380400  1.0
  Bi  Bi5  1  0.50000000  0.50000000  0.93619600  1.0
  Br  Br6  1  0.50000000  0.50000000  0.44300200  1.0
  Br  Br7  1  0.50000000  0.50000000  0.55699800  1.0
  Br  Br8  1  0.50000000  0.50000000  0.84112200  1.0
  Br  Br9  1  0.50000000  0.50000000  0.15887800  1.0
  O  O10  1  0.50000000  0.50000000  0.30228900  1.0
  O  O11  1  0.50000000  0.50000000  0.69771100  1.0
  O  O12  1  0.50000000  0.50000000  0.00000000  1.0