data_NbMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   145.05
_cell_angle_beta   128.71
_cell_angle_gamma   63.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoOs2
_chemical_formula_sum   'Nb1 Mo1 Os2'
_cell_volume   62.85
_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
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.44  1.0
  Os  Os2  1  0.0  0.26  0.29  1.0
  Os  Os3  1  0.57  0.0  0.14  1.0

data_NbMoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.52
_cell_length_c   5.22
_cell_angle_alpha   115.64
_cell_angle_beta   107.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoOs2
_chemical_formula_sum   'Nb1 Mo1 Os2'
_cell_volume   62.85
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.56  0.56  0.56  1.0
  Os  Os2  1  0.42  0.86  0.42  1.0
  Os  Os3  1  0.71  0.97  0.97  1.0

Nb Mo Os Os
Nb Mo Os Os 0 2 o o o 1 2 o o o 1 3 - o o 