data_[Si1Ni6P1]
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 [P-1]
_cell_length_a [3.9738]
_cell_length_b [4.1782]
_cell_length_c [5.9132]
_cell_angle_alpha [83.8885]
_cell_angle_beta [76.0020]
_cell_angle_gamma [72.4901]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SiNi6P]
_chemical_formula_sum '[Si1 Ni6 P1]'
_cell_volume [90.7904]
_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  0.5000  0.5000  0.5000  1
  Ni  Ni1  2  0.0626  0.3868  0.2091  1
  Ni  Ni2  2  0.1859  0.0793  0.5990  1
  Ni  Ni3  2  0.4655  0.7718  0.1501  1
  P  P4  1  0.0000  0.0000  0.0000  1
]