data_MgReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.83
_cell_angle_alpha   99.71
_cell_angle_beta   99.71
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReOs2
_chemical_formula_sum   'Mg1 Re1 Os2'
_cell_volume   60.55
_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
  Re  Re3  1  0.18  0.0  0.38  1.0
  Os  Os1  1  0.79  0.0  0.25  1.0
  Os  Os2  1  0.56  0.0  0.5  1.0

data_MgReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.81
_cell_length_c   4.83
_cell_angle_alpha   99.71
_cell_angle_beta   90.0
_cell_angle_gamma   106.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReOs2
_chemical_formula_sum   'Mg1 Re1 Os2'
_cell_volume   60.55
_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
  Re  Re1  1  0.0  0.82  0.62  1.0
  Os  Os2  1  0.0  0.21  0.75  1.0
  Os  Os3  1  0.0  0.44  0.5  1.0

Mg Re Os Os