data_[K4In4As4]
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 [P2_1/c]
_cell_length_a [8.0271]
_cell_length_b [6.0181]
_cell_length_c [8.1100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KInAs]
_chemical_formula_sum '[K4 In4 As4]'
_cell_volume [390.2652]
_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  0.3539  0.0409  0.7782  1.0
  In  In1  4  0.0397  0.7082  0.9268  1.0
  As  As2  4  0.2077  0.5325  0.6652  1.0
]