data_[La4Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6478]
_cell_length_b [6.2275]
_cell_length_c [9.2369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2ReO6]
_chemical_formula_sum '[La4 Re2 O12]'
_cell_volume [276.4409]
_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
[
  La  La0  4  0.2146  0.0904  0.7444  1.0
  Re  Re1  2  0.5000  0.0000  0.5000  1.0
  O  O2  4  0.1557  0.1492  0.4474  1.0
  O  O3  4  0.2984  0.7375  0.4252  1.0
  O  O4  4  0.4104  0.0590  0.2685  1.0
]