data_[K2Ta2Ni2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2962]
_cell_length_b [3.8369]
_cell_length_c [9.0560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTaNiAs3]
_chemical_formula_sum '[K2 Ta2 Ni2 As6]'
_cell_volume [268.3476]
_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  0.2588  0.2500  0.0125  1.0
  Ta  Ta1  2  0.1514  0.2500  0.4629  1.0
  Ni  Ni2  2  0.4066  0.7500  0.5157  1.0
  As  As3  2  0.1565  0.7500  0.2723  1.0
  As  As4  2  0.1781  0.7500  0.6906  1.0
  As  As5  2  0.4727  0.2500  0.6868  1.0
]