data_Mg2ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   4.43
_cell_angle_alpha   113.23
_cell_angle_beta   113.23
_cell_angle_gamma   38.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReTe
_chemical_formula_sum   'Mg2 Re1 Te1'
_cell_volume   74.52
_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  0.11  0.0  0.98  1.0
  Mg  Mg1  1  0.29  0.0  0.05  1.0
  Re  Re2  1  0.2  0.0  0.01  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Mg2ReTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.43
_cell_length_c   5.43
_cell_angle_alpha   113.23
_cell_angle_beta   109.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReTe
_chemical_formula_sum   'Mg2 Re1 Te1'
_cell_volume   74.52
_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  0.05  0.29  1.0
  Mg  Mg1  1  0.0  0.98  0.11  1.0
  Re  Re2  1  0.0  0.01  0.2  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Mg Mg Re Te
Mg Mg Re Te 0 2 o o + 0 3 o o + 1 2 o o o 