data_[Si6Ni2P4]
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 [4.7189]
_cell_length_b [5.3940]
_cell_length_c [7.9012]
_cell_angle_alpha [92.0706]
_cell_angle_beta [92.9302]
_cell_angle_gamma [108.5159]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si3NiP2]
_chemical_formula_sum '[Si6 Ni2 P4]'
_cell_volume [190.1660]
_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
[
  Si  Si0  1  0.0478  0.4544  0.4033  1.0
  Si  Si1  1  0.1581  0.7502  0.8046  1.0
  Si  Si2  1  0.3419  0.0194  0.2268  1.0
  Si  Si3  1  0.5768  0.3423  0.6683  1.0
  Si  Si4  1  0.6769  0.9582  0.7571  1.0
  Si  Si5  1  0.6806  0.6162  0.0691  1.0
  Ni  Ni6  1  0.0014  0.0046  0.9991  1.0
  Ni  Ni7  1  0.8521  0.7230  0.5568  1.0
  P  P8  1  0.1824  0.1098  0.4843  1.0
  P  P9  1  0.2825  0.3855  0.8871  1.0
  P  P10  1  0.5083  0.6970  0.3260  1.0
  P  P11  1  0.8037  0.2651  0.1553  1.0
]