data_[Ca2In2Cl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6971]
_cell_length_b [4.0170]
_cell_length_c [8.5102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaInClO2]
_chemical_formula_sum '[Ca2 In2 Cl2 O4]'
_cell_volume [216.3946]
_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  2  0.1615  0.2500  0.6546  1
  In  In1  2  0.1007  0.2500  0.1593  1
  Cl  Cl2  2  0.4997  0.2500  0.2525  1
  O  O3  2  0.0218  0.2500  0.3748  1
  O  O4  2  0.0330  0.2500  0.8934  1
]