data_Li2ReO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   51.05
_cell_angle_beta   51.05
_cell_angle_gamma   51.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReO3
_chemical_formula_sum   'Li4 Re2 O6'
_cell_volume   104.73
_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  1  0.0  0.0  0.83  1.0
  Li  Li1  1  0.0  0.0  0.62  1.0
  Li  Li2  1  0.0  0.0  0.28  1.0
  Li  Li3  1  0.0  0.0  0.07  1.0
  Re  Re10  1  0.0  0.0  0.0  1.0
  Re  Re11  1  0.0  0.0  0.45  1.0
  O  O4  1  0.87  0.66  0.69  1.0
  O  O5  1  0.4  0.92  0.69  1.0
  O  O6  1  0.73  0.42  0.69  1.0
  O  O7  1  0.27  0.58  0.21  1.0
  O  O8  1  0.6  0.08  0.21  1.0
  O  O9  1  0.13  0.34  0.21  1.0

data_Li2ReO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.73
_cell_angle_alpha   64.47
_cell_angle_beta   64.47
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ReO3
_chemical_formula_sum   'Li4 Re2 O6'
_cell_volume   104.73
_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  1  0.0  0.17  0.83  1.0
  Li  Li1  1  0.0  0.38  0.62  1.0
  Li  Li2  1  0.0  0.72  0.28  1.0
  Li  Li3  1  0.0  0.93  0.07  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.0  0.55  0.45  1.0
  O  O6  1  0.08  0.31  0.01  1.0
  O  O7  1  0.34  0.31  0.22  1.0
  O  O8  1  0.42  0.79  0.06  1.0
  O  O9  1  0.58  0.31  0.84  1.0
  O  O10  1  0.66  0.79  0.68  1.0
  O  O11  1  0.92  0.79  0.89  1.0

Li Li Li Li Re Re O O O O O O
Li Li Li Li Re Re O O O O O O 0 4 o o + 0 7 o - o 0 8 - o o 0 10 - o + 1 5 o o o 1 6 - - o 1 8 - o o 1 11 o o o 2 5 o o o 2 6 - - o 2 9 o - o 2 11 o o o 3 4 o o o 3 7 o - - 3 9 o - o 3 10 - o o 4 7 o - - 4 8 - o - 4 9 o - o 4 10 - o o 5 6 - - o 5 11 o o o 6 8 o o o 6 7 o o o 7 8 o o o 7 10 o + o 7 9 o o + 8 10 o o + 8 11 + o o 9 11 o o o 9 10 o o o 10 11 o o o 