data_[K4Sr2Ca2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3352]
_cell_length_b [8.8851]
_cell_length_c [14.6736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SrCaI6]
_chemical_formula_sum '[K4 Sr2 Ca2 I12]'
_cell_volume [896.6642]
_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
[
  K  K0  4  0.2156  0.0882  0.2492  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Ca  Ca2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1170  0.1998  0.9351  1.0
  I  I4  4  0.2433  0.6887  0.9374  1.0
  I  I5  4  0.3721  0.0401  0.7436  1.0
]