data_CaOsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   151.13
_cell_angle_beta   132.16
_cell_angle_gamma   56.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsAu
_chemical_formula_sum   'Ca1 Os1 Au1'
_cell_volume   59.37
_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
  Ca  Ca1  1  0.0  0.0  0.45  1.0
  Os  Os2  1  0.0  0.0  0.52  1.0
  Au  Au0  1  0.0  0.0  0.41  1.0

data_CaOsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.47
_cell_length_c   5.51
_cell_angle_alpha   113.92
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsAu
_chemical_formula_sum   'Ca1 Os1 Au1'
_cell_volume   59.37
_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
  Ca  Ca0  1  0.55  0.55  0.55  1.0
  Os  Os1  1  0.48  0.48  0.48  1.0
  Au  Au2  1  0.59  0.59  0.59  1.0

Ca Os Au