data_[Mg10Re10]
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 [4.5509]
_cell_length_b [14.3009]
_cell_length_c [5.0997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgRe]
_chemical_formula_sum '[Mg10 Re10]'
_cell_volume [331.9013]
_cell_formula_units_Z [10]
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  4  0.0000  0.1946  0.1910  1
  Mg  Mg1  4  0.5000  0.1954  0.8738  1
  Mg  Mg2  2  0.5000  0.0000  0.8925  1
  Re  Re3  4  0.0000  0.0871  0.6636  1
  Re  Re4  4  0.5000  0.0888  0.4019  1
  Re  Re5  2  0.0000  0.0000  0.1816  1
]