data_MgNbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   2.76
_cell_angle_alpha   102.56
_cell_angle_beta   102.56
_cell_angle_gamma   114.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbOs2
_chemical_formula_sum   'Mg1 Nb1 Os2'
_cell_volume   62.94
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.84  0.0  0.0  1.0
  Os  Os2  1  0.87  0.81  0.26  1.0
  Os  Os3  1  0.87  0.19  0.26  1.0

data_MgNbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   114.07
_cell_angle_beta   102.56
_cell_angle_gamma   102.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbOs2
_chemical_formula_sum   'Mg1 Nb1 Os2'
_cell_volume   62.94
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.84  0.0  1.0
  Os  Os2  1  0.26  0.87  0.19  1.0
  Os  Os3  1  0.26  0.87  0.81  1.0

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