data_[Mn4Cd4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2738]
_cell_length_b [2.9139]
_cell_length_c [7.8595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCdMo]
_chemical_formula_sum '[Mn4 Cd4 Mo4]'
_cell_volume [192.5509]
_cell_formula_units_Z [4]
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  0.1621  0.0000  0.5567  1
  Cd  Cd1  4  0.1662  0.0000  0.0972  1
  Mo  Mo2  4  0.0131  0.5000  0.3109  1
]