data_MgTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTeAu2
_chemical_formula_sum   'Mg1 Te1 Au2'
_cell_volume   83.87
_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  Mg2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.9  0.0  0.0  1.0
  Au  Au0  1  0.45  0.27  0.09  1.0
  Au  Au1  1  0.45  0.73  0.09  1.0

data_MgTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   99.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTeAu2
_chemical_formula_sum   'Mg1 Te1 Au2'
_cell_volume   83.87
_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  0.9  0.0  1.0
  Au  Au2  1  0.09  0.45  0.27  1.0
  Au  Au3  1  0.09  0.45  0.73  1.0

Mg Te Au Au
Mg Te Au Au 0 1 - o o 0 2 o o o 0 3 o - o 0 3 - - o 1 2 + o o 1 2 o o o 1 3 o - o 2 3 o o o 2 3 o - o 