data_[K1Y1Cr2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4348]
_cell_length_b [6.4593]
_cell_length_c [8.8261]
_cell_angle_alpha [78.5994]
_cell_angle_beta [77.0585]
_cell_angle_gamma [79.6440]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KY(CrCl4)2]
_chemical_formula_sum '[K1 Y1 Cr2 Cl8]'
_cell_volume [346.9379]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.4656  0.4683  0.7160  1.0
  Cl  Cl3  2  0.2193  0.7777  0.2158  1.0
  Cl  Cl4  2  0.2496  0.3031  0.9479  1.0
  Cl  Cl5  2  0.2643  0.8192  0.7678  1.0
  Cl  Cl6  2  0.3092  0.3614  0.5074  1.0
]