data_MgInRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   2.78
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   118.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInRe2
_chemical_formula_sum   'Mg1 In1 Re2'
_cell_volume   67.27
_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
  In  In0  1  0.76  0.0  0.0  1.0
  Re  Re2  1  0.92  0.32  0.31  1.0
  Re  Re3  1  0.92  0.68  0.31  1.0

data_MgInRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.3
_cell_length_c   5.4
_cell_angle_alpha   116.35
_cell_angle_beta   99.67
_cell_angle_gamma   100.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInRe2
_chemical_formula_sum   'Mg1 In1 Re2'
_cell_volume   67.27
_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
  In  In1  1  0.0  0.0  0.76  1.0
  Re  Re2  1  0.63  0.32  0.25  1.0
  Re  Re3  1  0.99  0.68  0.6  1.0

Mg In Re Re
Mg In Re Re 0 1 - o o 0 3 - - o 0 3 - - - 1 2 o o o 2 3 o o o 