data_MgMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   135.39
_cell_angle_beta   135.39
_cell_angle_gamma   64.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoOs2
_chemical_formula_sum   'Mg1 Mo1 Os2'
_cell_volume   60.77
_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  0.9  0.0  0.11  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0
  Os  Os3  1  0.0  0.9  0.11  1.0

data_MgMoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   5.0
_cell_angle_alpha   112.31
_cell_angle_beta   112.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoOs2
_chemical_formula_sum   'Mg1 Mo1 Os2'
_cell_volume   60.77
_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  0.11  0.21  0.21  1.0
  Os  Os2  1  0.21  0.11  0.21  1.0
  Os  Os3  1  0.22  0.22  0.22  1.0

Mg Mo Os Os