data_MnOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.12
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   91.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOsAu2
_chemical_formula_sum   'Mn1 Os1 Au2'
_cell_volume   64.1
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.91  0.0  0.83  1.0
  Au  Au0  1  0.27  0.06  0.25  1.0
  Au  Au1  1  0.3  0.06  0.41  1.0

data_MnOsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.12
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   91.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOsAu2
_chemical_formula_sum   'Mn1 Os1 Au2'
_cell_volume   64.1
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.91  0.0  0.83  1.0
  Au  Au2  1  0.27  0.06  0.25  1.0
  Au  Au3  1  0.3  0.06  0.41  1.0

Mn Os Au Au
Mn Os Au Au 0 1 - o - 2 3 o o o 