data_[Ca2Cr2In4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.3467]
_cell_length_b [10.2383]
_cell_length_c [7.5946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CaCr(InCl3)2]
_chemical_formula_sum '[Ca2 Cr2 In4 Cl12]'
_cell_volume [571.2484]
_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  0.0000  0.5000  0.2738  1.0
  Cr  Cr1  2  0.0000  0.0000  0.2388  1.0
  In  In2  4  0.0000  0.2927  0.7918  1.0
  Cl  Cl3  4  0.0000  0.2344  0.2260  1.0
  Cl  Cl4  4  0.2470  0.5000  0.5356  1.0
  Cl  Cl5  4  0.2474  0.5000  0.9996  1.0
]