data_[Mn6Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [5.3588]
_cell_length_b [5.4536]
_cell_length_c [9.4892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn3ReO6]
_chemical_formula_sum '[Mn6 Re2 O12]'
_cell_volume [228.8585]
_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
[
  Mn  Mn0  4  0.2443  0.0454  0.2443  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Re  Re2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1355  0.1712  0.9438  1.0
  O  O4  4  0.2663  0.7014  0.9251  1.0
  O  O5  4  0.3877  0.0716  0.7667  1.0
]