data_MgOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.99
_cell_angle_alpha   100.38
_cell_angle_beta   100.38
_cell_angle_gamma   32.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOsAu2
_chemical_formula_sum   'Mg1 Os1 Au2'
_cell_volume   66.87
_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  Mg2  1  0.37  0.0  0.45  1.0
  Os  Os3  1  0.67  0.0  0.71  1.0
  Au  Au0  1  0.65  0.0  0.82  1.0
  Au  Au1  1  0.01  0.0  0.28  1.0

data_MgOsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.99
_cell_length_c   5.01
_cell_angle_alpha   100.38
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOsAu2
_chemical_formula_sum   'Mg1 Os1 Au2'
_cell_volume   66.87
_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  0.45  0.37  1.0
  Os  Os1  1  0.0  0.71  0.67  1.0
  Au  Au2  1  0.0  0.28  0.01  1.0
  Au  Au3  1  0.0  0.82  0.65  1.0

Mg Os Au Au