data_[Mn2Nb1Cd1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2792]
_cell_length_b [5.3692]
_cell_length_c [5.7213]
_cell_angle_alpha [116.3541]
_cell_angle_beta [90.5126]
_cell_angle_gamma [117.7387]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2NbCdO6]
_chemical_formula_sum '[Mn2 Nb1 Cd1 O6]'
_cell_volume [123.7743]
_cell_formula_units_Z [1]
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  1  0.0202  0.0312  0.0420  1.0
  Mn  Mn1  1  0.5230  0.0433  0.5671  1.0
  Nb  Nb2  1  0.3168  0.6201  0.9468  1.0
  Cd  Cd3  1  0.8058  0.5834  0.3905  1.0
  O  O4  1  0.1411  0.8744  0.2401  1.0
  O  O5  1  0.2229  0.8387  0.7811  1.0
  O  O6  1  0.3870  0.5407  0.2474  1.0
  O  O7  1  0.5772  0.5196  0.7491  1.0
  O  O8  1  0.7212  0.0812  0.2251  1.0
  O  O9  1  0.9465  0.1906  0.7955  1.0
]