data_TeMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   144.09
_cell_angle_beta   128.94
_cell_angle_gamma   64.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Au
_chemical_formula_sum   'Te1 Mo2 Au1'
_cell_volume   72.57
_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
  Te  Te3  1  0.0  0.0  0.49  1.0
  Mo  Mo1  1  0.0  0.0  0.19  1.0
  Mo  Mo2  1  0.68  0.0  0.27  1.0
  Au  Au0  1  0.0  0.34  0.28  1.0

data_TeMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.69
_cell_length_c   5.44
_cell_angle_alpha   115.53
_cell_angle_beta   107.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Au
_chemical_formula_sum   'Te1 Mo2 Au1'
_cell_volume   72.57
_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
  Te  Te0  1  0.0  0.49  0.49  1.0
  Mo  Mo1  1  0.0  0.19  0.19  1.0
  Mo  Mo2  1  0.0  0.27  0.59  1.0
  Au  Au3  1  0.66  0.94  0.94  1.0

Te Mo Mo Au