# generated using pymatgen
data_Ca3Fe2Cl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51451319
_cell_length_b   5.51433479
_cell_length_c   12.09564347
_cell_angle_alpha   90.00003567
_cell_angle_beta   76.82243354
_cell_angle_gamma   90.00007109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Fe2Cl2O5
_chemical_formula_sum   'Ca6 Fe4 Cl4 O10'
_cell_volume   358.12965927
_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  0.50000100  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.99999900  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.15251100  0.50000000  0.69498200  1.0
  Ca  Ca3  1  0.65251100  0.99999900  0.69498200  1.0
  Ca  Ca4  1  0.34749000  0.00000000  0.30501800  1.0
  Ca  Ca5  1  0.84748900  0.50000100  0.30501700  1.0
  Fe  Fe6  1  0.41872000  0.50000000  0.16257100  1.0
  Fe  Fe7  1  0.08127900  0.00000000  0.83742900  1.0
  Fe  Fe8  1  0.91872700  0.99999800  0.16255800  1.0
  Fe  Fe9  1  0.58127400  0.50000100  0.83744200  1.0
  Cl  Cl10  1  0.29775800  0.50000100  0.40449600  1.0
  Cl  Cl11  1  0.79775700  0.00000000  0.40449800  1.0
  Cl  Cl12  1  0.20224200  0.00000100  0.59550500  1.0
  Cl  Cl13  1  0.70224400  0.50000000  0.59550200  1.0
  O  O14  1  0.49999500  0.50000000  0.00000800  1.0
  O  O15  1  0.00000400  0.00000000  0.99999200  1.0
  O  O16  1  0.34219700  0.24999800  0.81563200  1.0
  O  O17  1  0.84219400  0.74999600  0.81563300  1.0
  O  O18  1  0.84219400  0.25000300  0.81563200  1.0
  O  O19  1  0.34219600  0.75000100  0.81563200  1.0
  O  O20  1  0.15780300  0.25000200  0.18436800  1.0
  O  O21  1  0.65780500  0.75000400  0.18436800  1.0
  O  O22  1  0.65780600  0.24999700  0.18436700  1.0
  O  O23  1  0.15780400  0.74999800  0.18436800  1.0