data_NiBiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   3.63
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiP2
_chemical_formula_sum   'Ni1 Bi1 P2'
_cell_volume   73.76
_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
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.5  0.0  0.35  1.0
  P  P2  1  0.92  0.82  0.07  1.0
  P  P3  1  0.08  0.82  0.62  1.0

data_NiBiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.32
_cell_length_c   4.88
_cell_angle_alpha   105.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiP2
_chemical_formula_sum   'Ni1 Bi1 P2'
_cell_volume   73.76
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.5  0.65  1.0
  P  P2  1  0.18  0.08  0.93  1.0
  P  P3  1  0.18  0.92  0.38  1.0

Ni Bi P P