# generated using pymatgen
data_Ca2FeClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88163200
_cell_length_b   6.21017956
_cell_length_c   7.15313423
_cell_angle_alpha   65.79763220
_cell_angle_beta   74.55003316
_cell_angle_gamma   67.30453844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeClO8
_chemical_formula_sum   'Ca2 Fe1 Cl1 O8'
_cell_volume   180.96167253
_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  0.35756700  0.43537700  0.81082500  1.0
  Ca  Ca1  1  0.64243300  0.56462300  0.18917500  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl3  1  0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.86645000  0.35615900  0.90311400  1.0
  O  O5  1  0.44895800  0.97550400  0.93069900  1.0
  O  O6  1  0.06550700  0.82024700  0.82134700  1.0
  O  O7  1  0.13355000  0.64384100  0.09688600  1.0
  O  O8  1  0.55104200  0.02449600  0.06930100  1.0
  O  O9  1  0.93449300  0.17975300  0.17865300  1.0
  O  O10  1  0.57644600  0.64797800  0.49076300  1.0
  O  O11  1  0.42355400  0.35202200  0.50923700  1.0