data_[Mg2Re10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5198]
_cell_length_b [2.7788]
_cell_length_c [14.5404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgRe5]
_chemical_formula_sum '[Mg2 Re10]'
_cell_volume [182.6181]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.8883  1
  Re  Re1  2  0.0000  0.0000  0.3317  1
  Re  Re2  2  0.0000  0.0000  0.6649  1
  Re  Re3  2  0.0000  0.0000  0.9997  1
  Re  Re4  2  0.5000  0.0000  0.2204  1
  Re  Re5  2  0.5000  0.0000  0.5615  1
]