data_[K2Al2As4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.9602]
_cell_length_b [10.0663]
_cell_length_c [6.6502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KAlAs2S7]
_chemical_formula_sum '[K2 Al2 As4 S14]'
_cell_volume [595.4823]
_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  0.1065  0.5000  1.0
  Al  Al1  2  0.0000  0.4891  0.0000  1.0
  As  As2  4  0.2054  0.8344  0.0702  1.0
  S  S3  4  0.1515  0.6500  0.2156  1.0
  S  S4  4  0.1543  0.4649  0.7252  1.0
  S  S5  4  0.1661  0.3273  0.1872  1.0
  S  S6  2  0.0000  0.9697  0.0000  1.0
]