data_[K4Sn4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6988]
_cell_length_b [6.4547]
_cell_length_c [8.1509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KSnAs]
_chemical_formula_sum '[K4 Sn4 As4]'
_cell_volume [404.5544]
_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  0.3505  0.0974  0.2097  1.0
  Sn  Sn1  4  0.0039  0.7182  0.0663  1.0
  As  As2  4  0.2074  0.6038  0.3397  1.0
]