data_[K4Ni4P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3760]
_cell_length_b [3.9595]
_cell_length_c [7.5186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNiP]
_chemical_formula_sum '[K4 Ni4 P4]'
_cell_volume [297.9084]
_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  0.0535  0.5000  0.7972  1.0
  Ni  Ni1  4  0.2363  0.0000  0.3865  1.0
  P  P2  4  0.2182  0.0000  0.6608  1.0
]