data_Mg2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   151.89
_cell_angle_beta   132.18
_cell_angle_gamma   56.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReRh
_chemical_formula_sum   'Mg2 Re1 Rh1'
_cell_volume   72.77
_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  0.41  0.97  1.0
  Mg  Mg1  1  0.0  0.0  0.78  1.0
  Re  Re2  1  0.0  0.41  0.28  1.0
  Rh  Rh3  1  0.0  0.0  0.67  1.0

data_Mg2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.82
_cell_length_c   5.94
_cell_angle_alpha   113.91
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReRh
_chemical_formula_sum   'Mg2 Re1 Rh1'
_cell_volume   72.77
_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  0.03  0.43  0.43  1.0
  Mg  Mg1  1  0.22  0.22  0.22  1.0
  Re  Re2  1  0.72  0.13  0.13  1.0
  Rh  Rh3  1  0.33  0.33  0.33  1.0

Mg Mg Re Rh