data_[Si2Ni2As2P4]
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
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0950]
_cell_length_b [3.6313]
_cell_length_c [4.8328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiNiAsP2]
_chemical_formula_sum '[Si2 Ni2 As2 P4]'
_cell_volume [165.6822]
_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  2  0.0924  0.5000  0.8072  1.0
  Ni  Ni1  2  0.3605  0.0000  0.4905  1.0
  As  As2  2  0.4327  0.5000  0.2424  1.0
  P  P3  2  0.1439  0.0000  0.1291  1.0
  P  P4  2  0.3016  0.5000  0.7212  1.0
]