data_[Li2Re2O8]
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 [P2/c]
_cell_length_a [4.5263]
_cell_length_b [3.2968]
_cell_length_c [9.0449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiReO4]
_chemical_formula_sum '[Li2 Re2 O8]'
_cell_volume [134.3815]
_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  2  0.0000  0.0000  0.0000  1
  Re  Re1  2  0.5000  0.3325  0.7500  1
  O  O2  4  0.2295  0.4654  0.1149  1
  O  O3  4  0.2946  0.0033  0.8530  1
]