data_MgIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   131.2
_cell_angle_beta   131.2
_cell_angle_gamma   71.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrOs2
_chemical_formula_sum   'Mg1 Ir1 Os2'
_cell_volume   58.93
_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  Mg1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.96  0.92  1.0
  Os  Os2  1  0.96  0.0  0.92  1.0
  Os  Os3  1  0.0  0.0  0.85  1.0

data_MgIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   4.74
_cell_angle_alpha   114.4
_cell_angle_beta   114.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrOs2
_chemical_formula_sum   'Mg1 Ir1 Os2'
_cell_volume   58.93
_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
  Ir  Ir1  1  0.03  0.96  0.03  1.0
  Os  Os2  1  0.08  0.0  0.03  1.0
  Os  Os3  1  0.15  0.0  0.15  1.0

Mg Ir Os Os