data_[Zn2Ni2P2]
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 [P1]
_cell_length_a [3.9421]
_cell_length_b [4.2408]
_cell_length_c [6.0217]
_cell_angle_alpha [107.0867]
_cell_angle_beta [102.3430]
_cell_angle_gamma [101.3630]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnNiP]
_chemical_formula_sum '[Zn2 Ni2 P2]'
_cell_volume [90.2900]
_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  1  0.4123  0.5991  0.7574  1
  Zn  Zn1  1  0.9721  0.5114  0.2259  1
  Ni  Ni2  1  0.4180  0.1839  0.3507  1
  Ni  Ni3  1  0.7786  0.1834  0.7714  1
  P  P4  1  0.3275  0.1434  0.9615  1
  P  P5  1  0.9191  0.0624  0.4355  1
]