data_[K4Ni12As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7955]
_cell_length_b [3.7601]
_cell_length_c [8.3195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNi3As2]
_chemical_formula_sum '[K4 Ni12 As8]'
_cell_volume [429.4582]
_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  0.1464  0.0000  0.0493  1.0
  Ni  Ni1  4  0.0482  0.0000  0.4000  1.0
  Ni  Ni2  4  0.0810  0.5000  0.6322  1.0
  Ni  Ni3  4  0.1853  0.5000  0.4528  1.0
  As  As4  4  0.0281  0.5000  0.2278  1.0
  As  As5  4  0.1871  0.0000  0.6541  1.0
]