data_[Li6Mg12Re6H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7790]
_cell_length_b [4.7790]
_cell_length_c [29.5824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiMg2ReH6]
_chemical_formula_sum '[Li6 Mg12 Re6 H36]'
_cell_volume [585.0990]
_cell_formula_units_Z [6]
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
[
  Li  Li0  6  0.0000  0.0000  0.4134  1.0
  Mg  Mg1  6  0.0000  0.0000  0.1465  1.0
  Mg  Mg2  6  0.0000  0.0000  0.3132  1.0
  Re  Re3  3  -0.0000  -0.0000  0.5000  1.0
  Re  Re4  3  0.0000  0.0000  0.0000  1.0
  H  H5  18  0.0040  0.5020  0.1287  1.0
  H  H6  18  0.0127  0.5064  0.7055  1.0
]