data_[Nd12Mn6Re6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [C2/m]
_cell_length_a [17.7166]
_cell_length_b [8.0807]
_cell_length_c [5.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2MnReO6]
_chemical_formula_sum '[Nd12 Mn6 Re6 O36]'
_cell_volume [761.8586]
_cell_formula_units_Z [6]
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
[
  Nd  Nd0  8  0.1665  0.2501  0.1751  1
  Nd  Nd1  4  0.0000  0.2501  0.5000  1
  Mn  Mn2  4  0.1666  0.5000  0.6701  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  Re  Re4  4  0.1669  0.0000  0.6667  1
  Re  Re5  2  0.0000  0.5000  0.0000  1
  O  O6  8  0.1669  0.2472  0.6522  1
  O  O7  4  0.0000  0.2526  0.0000  1
  O  O8  4  0.0556  0.5000  0.7356  1
  O  O9  4  0.0599  0.0000  0.3931  1
  O  O10  4  0.1061  0.5000  0.2754  1
  O  O11  4  0.1118  0.0000  0.9327  1
  O  O12  4  0.2229  0.0000  0.4033  1
  O  O13  4  0.2259  0.5000  0.0617  1
]