data_[Zn3Si1Ni9P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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-3m1]
_cell_length_a [5.7033]
_cell_length_b [5.7033]
_cell_length_c [7.9223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Zn3SiNi9P2]
_chemical_formula_sum '[Zn3 Si1 Ni9 P2]'
_cell_volume [223.1661]
_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
[
  Zn  Zn0  2  0.3333  0.6667  0.7466  1
  Zn  Zn1  1  0.0000  0.0000  0.0000  1
  Si  Si2  1  0.0000  0.0000  0.5000  1
  Ni  Ni3  6  0.1387  0.2773  0.2713  1
  Ni  Ni4  3  0.0000  0.5000  0.0000  1
  P  P5  2  0.3333  0.6667  0.1805  1
]