data_NiMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.6
_cell_angle_alpha   100.66
_cell_angle_beta   100.66
_cell_angle_gamma   34.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMo2Os
_chemical_formula_sum   'Ni1 Mo2 Os1'
_cell_volume   57.27
_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  Ni2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.61  0.0  0.41  1.0
  Mo  Mo1  1  0.53  0.0  0.11  1.0
  Os  Os3  1  0.07  0.0  0.26  1.0

data_NiMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.6
_cell_length_c   4.73
_cell_angle_alpha   100.66
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMo2Os
_chemical_formula_sum   'Ni1 Mo2 Os1'
_cell_volume   57.27
_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
  Mo  Mo1  1  0.0  0.11  0.53  1.0
  Mo  Mo2  1  0.0  0.41  0.61  1.0
  Os  Os3  1  0.0  0.26  0.07  1.0

Ni Mo Mo Os
Ni Mo Mo Os 0 3 o o o 1 2 o o o 