data_[Li4Re4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3822]
_cell_length_b [8.9981]
_cell_length_c [5.2905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Re2O7]
_chemical_formula_sum '[Li4 Re4 O14]'
_cell_volume [295.5884]
_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
[
  Li  Li0  4  0.0000  0.3227  0.0000  1.0
  Re  Re1  4  0.2499  0.5000  0.6265  1.0
  O  O2  8  0.2050  0.1727  0.2126  1.0
  O  O3  4  0.0550  0.5000  0.2881  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]