data_[K2In2As4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.2171]
_cell_length_b [10.4676]
_cell_length_c [6.6020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KInAs2S7]
_chemical_formula_sum '[K2 In2 As4 S14]'
_cell_volume [629.2904]
_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  2  0.0000  0.0836  0.5000  1.0
  In  In1  2  0.0000  0.4976  0.0000  1.0
  As  As2  4  0.2044  0.8365  0.0807  1.0
  S  S3  4  0.1553  0.6657  0.2439  1.0
  S  S4  4  0.1618  0.4638  0.7066  1.0
  S  S5  4  0.1893  0.3210  0.1881  1.0
  S  S6  2  0.0000  0.9633  0.0000  1.0
]