data_MoOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.81
_cell_angle_alpha   99.71
_cell_angle_beta   99.71
_cell_angle_gamma   33.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoOs2Au
_chemical_formula_sum   'Mo1 Os2 Au1'
_cell_volume   61.99
_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
  Mo  Mo1  1  0.74  0.0  0.62  1.0
  Os  Os2  1  0.04  0.0  0.04  1.0
  Os  Os3  1  0.72  0.0  0.06  1.0
  Au  Au0  1  0.24  0.0  0.38  1.0

data_MoOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.81
_cell_length_c   4.88
_cell_angle_alpha   99.71
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoOs2Au
_chemical_formula_sum   'Mo1 Os2 Au1'
_cell_volume   61.99
_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
  Mo  Mo0  1  0.0  0.62  0.74  1.0
  Os  Os1  1  0.0  0.04  0.04  1.0
  Os  Os2  1  0.0  0.06  0.72  1.0
  Au  Au3  1  0.0  0.38  0.24  1.0

Mo Os Os Au