data_ZnNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   34.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2P
_chemical_formula_sum   'Zn1 Ni2 P1'
_cell_volume   48.38
_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  Zn3  1  0.03  0.0  0.71  1.0
  Ni  Ni0  1  0.0  0.0  0.24  1.0
  Ni  Ni1  1  0.03  0.0  0.01  1.0
  P  P2  1  0.0  0.0  0.8  1.0

data_ZnNi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.06
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2P
_chemical_formula_sum   'Zn1 Ni2 P1'
_cell_volume   48.38
_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  1  0.29  0.03  0.29  1.0
  Ni  Ni1  1  0.76  0.0  0.76  1.0
  Ni  Ni2  1  0.99  0.03  0.99  1.0
  P  P3  1  0.2  0.0  0.2  1.0

Zn Ni Ni P
Zn Ni Ni P 0 3 o o o 1 2 o o o 2 3 o o - 