data_MgTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.78
_cell_angle_alpha   105.06
_cell_angle_beta   105.06
_cell_angle_gamma   48.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Au
_chemical_formula_sum   'Mg1 Te2 Au1'
_cell_volume   97.87
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.72  0.0  0.11  1.0
  Te  Te3  1  0.69  0.0  0.48  1.0
  Au  Au0  1  0.2  0.0  0.29  1.0

data_MgTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.78
_cell_length_c   5.35
_cell_angle_alpha   105.06
_cell_angle_beta   114.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTe2Au
_chemical_formula_sum   'Mg1 Te2 Au1'
_cell_volume   97.87
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.11  0.72  1.0
  Te  Te2  1  0.0  0.48  0.69  1.0
  Au  Au3  1  0.0  0.29  0.2  1.0

Mg Te Te Au