data_Mg4Re3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.13
_cell_length_b   14.13
_cell_length_c   14.13
_cell_angle_alpha   167.77
_cell_angle_beta   167.77
_cell_angle_gamma   17.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Re3
_chemical_formula_sum   'Mg4 Re3'
_cell_volume   126.67
_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  0.33  1.0
  Mg  Mg1  1  0.0  0.0  0.14  1.0
  Mg  Mg2  1  0.0  0.0  0.81  1.0
  Mg  Mg3  1  0.0  0.0  0.61  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.0  0.0  0.71  1.0
  Re  Re6  1  0.0  0.0  0.23  1.0

data_Mg4Re3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   14.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg4Re3
_chemical_formula_sum   'Mg8 Re6'
_cell_volume   253.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.19  1.0
  Mg  Mg1  2  0.0  0.0  0.39  1.0
  Mg  Mg2  2  0.0  0.0  0.67  1.0
  Mg  Mg3  2  0.0  0.0  0.86  1.0
  Re  Re4  2  0.0  0.0  0.0  1.0
  Re  Re5  2  0.0  0.0  0.29  1.0
  Re  Re6  2  0.0  0.0  0.77  1.0

Mg Mg Mg Mg Re Re Re