data_[K8In4As8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2326]
_cell_length_b [6.5829]
_cell_length_c [9.8087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2InAs2]
_chemical_formula_sum '[K8 In4 As8]'
_cell_volume [786.2280]
_cell_formula_units_Z [4]
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  0.1573  0.0000  0.5105  1.0
  K  K1  4  0.2280  0.0000  0.1264  1.0
  In  In2  4  0.0134  0.5000  0.1769  1.0
  As  As3  4  0.0800  0.5000  0.4785  1.0
  As  As4  4  0.1692  0.5000  0.1046  1.0
]