data_[Mg1Mn3Cd2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3368]
_cell_length_b [5.8504]
_cell_length_c [6.2324]
_cell_angle_alpha [71.1355]
_cell_angle_beta [89.5244]
_cell_angle_gamma [63.6684]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn3Cd2O8]
_chemical_formula_sum '[Mg1 Mn3 Cd2 O8]'
_cell_volume [162.9227]
_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
[
  Mg  Mg0  1  0.7250  0.5223  0.1166  1.0
  Mn  Mn1  1  0.0122  0.9758  0.2461  1.0
  Mn  Mn2  1  0.0140  0.9658  0.7524  1.0
  Mn  Mn3  1  0.4609  0.0768  0.9805  1.0
  Cd  Cd4  1  0.3082  0.3633  0.4043  1.0
  Cd  Cd5  1  0.6817  0.6062  0.6173  1.0
  O  O6  1  0.0244  0.2588  0.9759  1.0
  O  O7  1  0.0248  0.7219  0.5359  1.0
  O  O8  1  0.4239  0.8342  0.8335  1.0
  O  O9  1  0.4283  0.7833  0.2683  1.0
  O  O10  1  0.5989  0.2159  0.1681  1.0
  O  O11  1  0.6138  0.2197  0.7130  1.0
  O  O12  1  0.9601  0.7719  0.0674  1.0
  O  O13  1  0.9989  0.2049  0.4250  1.0
]