data_Ni2BiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   3.02
_cell_angle_alpha   91.01
_cell_angle_beta   91.01
_cell_angle_gamma   107.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiOs
_chemical_formula_sum   'Ni2 Bi1 Os1'
_cell_volume   60.67
_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  0.31  0.86  0.51  1.0
  Ni  Ni2  1  0.31  0.14  0.51  1.0
  Bi  Bi0  1  0.7  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Ni2BiOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.6
_cell_length_b   3.02
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ni2BiOs
_chemical_formula_sum   'Ni2 Bi1 Os1'
_cell_volume   60.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.31  0.5  0.86  1.0
  Ni  Ni1  1  0.31  0.5  0.14  1.0
  Bi  Bi2  1  0.7  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Ni Ni Bi Os
Ni Ni Bi Os 0 1 o + o 2 3 + o o 