data_MgMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoOs2
_chemical_formula_sum   'Mg1 Mo1 Os2'
_cell_volume   61.63
_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
  Mo  Mo1  1  0.0  0.0  0.52  1.0
  Os  Os2  1  0.49  0.0  0.74  1.0
  Os  Os3  1  0.49  0.0  0.3  1.0

data_MgMoOs2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.73
_cell_length_b   9.04
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MgMoOs2
_chemical_formula_sum   'Mg1 Mo1 Os2'
_cell_volume   61.63
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.48  0.0  1.0
  Os  Os2  1  0.5  0.26  0.0  1.0
  Os  Os3  1  0.5  0.7  0.0  1.0

Mg Mo Os Os