# generated using pymatgen
data_Ca3Fe2Br2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53791331
_cell_length_b   5.53790545
_cell_length_c   13.43118382
_cell_angle_alpha   90.00045094
_cell_angle_beta   78.20210823
_cell_angle_gamma   90.00051195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Fe2Br2O5
_chemical_formula_sum   'Ca6 Fe4 Br4 O10'
_cell_volume   403.21175157
_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
  Ca  Ca0  1  0.49999300  0.00000000  0.99998300  1.0
  Ca  Ca1  1  0.00001200  0.50000700  0.00000800  1.0
  Ca  Ca2  1  0.13566000  0.49999600  0.72829800  1.0
  Ca  Ca3  1  0.63566000  0.99999300  0.72829500  1.0
  Ca  Ca4  1  0.36433700  0.99999800  0.27171000  1.0
  Ca  Ca5  1  0.86434200  0.50001200  0.27170600  1.0
  Fe  Fe6  1  0.42700200  0.50001100  0.14545000  1.0
  Fe  Fe7  1  0.07300100  0.99999900  0.85453700  1.0
  Fe  Fe8  1  0.92703000  0.99999700  0.14542200  1.0
  Fe  Fe9  1  0.57298900  0.49999300  0.85455100  1.0
  Br  Br10  1  0.31252900  0.49999800  0.37896700  1.0
  Br  Br11  1  0.81252500  0.00000400  0.37897200  1.0
  Br  Br12  1  0.18747100  0.99999900  0.62105600  1.0
  Br  Br13  1  0.68746900  0.49999100  0.62106700  1.0
  O  O14  1  0.49999700  0.50001300  0.99995700  1.0
  O  O15  1  0.00000200  0.99998500  0.00002900  1.0
  O  O16  1  0.66741000  0.24978300  0.16428800  1.0
  O  O17  1  0.16738500  0.74978500  0.16429800  1.0
  O  O18  1  0.83258800  0.25021700  0.83571100  1.0
  O  O19  1  0.33260400  0.75022100  0.83570200  1.0
  O  O20  1  0.16739400  0.25022000  0.16429400  1.0
  O  O21  1  0.66739400  0.75023000  0.16429400  1.0
  O  O22  1  0.33260300  0.24977300  0.83570400  1.0
  O  O23  1  0.83260400  0.74977400  0.83570100  1.0