data_[Si4Ni1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9680]
_cell_length_b [5.6919]
_cell_length_c [6.1464]
_cell_angle_alpha [84.5925]
_cell_angle_beta [68.1185]
_cell_angle_gamma [70.0935]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si4NiP4]
_chemical_formula_sum '[Si4 Ni1 P4]'
_cell_volume [151.5397]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.2355  0.3426  0.4303  1.0
  Si  Si1  1  0.3483  0.5923  0.8848  1.0
  Si  Si2  1  0.6764  0.7706  0.2203  1.0
  Si  Si3  1  0.8455  0.9689  0.6924  1.0
  Ni  Ni4  1  0.0003  0.9968  0.9990  1.0
  P  P5  1  0.1620  0.0144  0.3133  1.0
  P  P6  1  0.3346  0.2243  0.7642  1.0
  P  P7  1  0.6273  0.4056  0.1194  1.0
  P  P8  1  0.7633  0.6428  0.5671  1.0
]