data_TeMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   132.85
_cell_angle_beta   132.85
_cell_angle_gamma   68.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Au
_chemical_formula_sum   'Te1 Mo2 Au1'
_cell_volume   71.12
_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  0.23  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.05  0.0  0.11  1.0
  Au  Au0  1  0.0  0.05  0.11  1.0

data_TeMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.13
_cell_angle_alpha   113.57
_cell_angle_beta   113.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Au
_chemical_formula_sum   'Te1 Mo2 Au1'
_cell_volume   71.12
_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  0.77  0.0  0.77  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.89  0.0  0.94  1.0
  Au  Au3  1  0.94  0.05  0.94  1.0

Te Mo Mo Au