data_MgTeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.09
_cell_angle_alpha   101.5
_cell_angle_beta   101.5
_cell_angle_gamma   41.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTeRh2
_chemical_formula_sum   'Mg1 Te1 Rh2'
_cell_volume   69.1
_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  Te3  1  0.72  0.0  0.48  1.0
  Rh  Rh1  1  0.29  0.0  0.7  1.0
  Rh  Rh2  1  0.16  0.0  0.27  1.0

data_MgTeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.57
_cell_length_c   5.09
_cell_angle_alpha   101.5
_cell_angle_beta   90.0
_cell_angle_gamma   110.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTeRh2
_chemical_formula_sum   'Mg1 Te1 Rh2'
_cell_volume   69.1
_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  0.28  0.52  1.0
  Rh  Rh2  1  0.0  0.71  0.3  1.0
  Rh  Rh3  1  0.0  0.84  0.73  1.0

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