data_[Ni8As4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1898]
_cell_length_b [6.1467]
_cell_length_c [4.9914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ni2AsP]
_chemical_formula_sum '[Ni8 As4 P4]'
_cell_volume [220.5450]
_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
[
  Ni  Ni0  4  0.1138  0.1949  0.5228  1.0
  Ni  Ni1  4  0.4175  0.6974  0.5086  1.0
  As  As2  4  0.1258  0.5709  0.6861  1.0
  P  P3  4  0.3857  0.0525  0.6748  1.0
]