data_[Mg2Cd2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0573]
_cell_length_b [2.8166]
_cell_length_c [5.3146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCdRe2]
_chemical_formula_sum '[Mg2 Cd2 Re4]'
_cell_volume [134.8458]
_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  0.2480  0.5000  0.2569  1
  Cd  Cd1  2  0.0034  0.5000  0.4836  1
  Re  Re2  2  0.2506  0.0000  0.7902  1
  Re  Re3  2  0.4979  0.5000  0.9693  1
]