data_Ni2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.16
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiP
_chemical_formula_sum   'Ni2 Bi1 P1'
_cell_volume   71.2
_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  0.36  0.0  0.37  1.0
  Ni  Ni2  1  0.34  0.08  0.47  1.0
  Bi  Bi0  1  0.3  0.08  0.98  1.0
  P  P3  1  0.65  0.0  0.71  1.0

data_Ni2BiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.16
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   96.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiP
_chemical_formula_sum   'Ni2 Bi1 P1'
_cell_volume   71.2
_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  0.34  0.08  0.47  1.0
  Ni  Ni1  1  0.36  0.0  0.37  1.0
  Bi  Bi2  1  0.3  0.08  0.98  1.0
  P  P3  1  0.65  0.0  0.71  1.0

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