data_Zr2Ni2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni2P
_chemical_formula_sum   'Zr4 Ni4 P2'
_cell_volume   156.5
_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
  Zr  Zr6  1  0.13  0.37  0.86  1.0
  Zr  Zr7  1  0.36  0.12  0.86  1.0
  Zr  Zr8  1  0.12  0.13  0.86  1.0
  Zr  Zr9  1  0.37  0.36  0.86  1.0
  Ni  Ni0  1  0.4  0.64  0.0  1.0
  Ni  Ni1  1  0.09  0.85  0.0  1.0
  Ni  Ni2  1  0.85  0.4  0.0  1.0
  Ni  Ni3  1  0.64  0.09  0.0  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  P  P5  1  0.24  0.24  0.0  1.0

data_Zr2Ni2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni2P
_chemical_formula_sum   'Zr4 Ni4 P2'
_cell_volume   156.5
_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
  Zr  Zr0  1  0.86  0.12  0.13  1.0
  Zr  Zr1  1  0.86  0.13  0.37  1.0
  Zr  Zr2  1  0.86  0.36  0.12  1.0
  Zr  Zr3  1  0.86  0.37  0.36  1.0
  Ni  Ni4  1  0.0  0.64  0.09  1.0
  Ni  Ni5  1  0.0  0.4  0.64  1.0
  Ni  Ni6  1  0.0  0.09  0.85  1.0
  Ni  Ni7  1  0.0  0.85  0.4  1.0
  P  P8  1  0.0  0.0  0.0  1.0
  P  P9  1  0.0  0.24  0.24  1.0

Zr Zr Zr Zr Ni Ni Ni Ni P P