data_[Zn6Ni2P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [19.6581]
_cell_length_b [5.7577]
_cell_length_c [6.3660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Zn3NiP3]
_chemical_formula_sum '[Zn6 Ni2 P6]'
_cell_volume [720.5383]
_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
[
  Zn  Zn0  4  0.1185  0.4674  0.4260  1
  Zn  Zn1  2  0.0000  0.1789  0.0443  1
  Ni  Ni2  2  0.0000  0.4761  0.7701  1
  P  P3  4  0.1041  0.2203  0.7046  1
  P  P4  2  0.0000  0.2304  0.5041  1
]