data_[K1Cr1Sn1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2788]
_cell_length_b [3.6838]
_cell_length_c [7.8986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KCrSnS4]
_chemical_formula_sum '[K1 Cr1 Sn1 S4]'
_cell_volume [176.0343]
_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  0.6588  0.5000  0.5043  1.0
  Cr  Cr1  1  0.5011  0.5000  0.9958  1.0
  Sn  Sn2  1  0.0022  0.0000  0.0037  1.0
  S  S3  1  0.1205  0.5000  0.8163  1.0
  S  S4  1  0.4131  0.0000  0.1728  1.0
  S  S5  1  0.5941  0.0000  0.8224  1.0
  S  S6  1  0.8772  0.5000  0.1856  1.0
]