data_[Mn2Cd4]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0379]
_cell_length_b [5.2226]
_cell_length_c [7.4553]
_cell_angle_alpha [95.0543]
_cell_angle_beta [101.7100]
_cell_angle_gamma [90.5386]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnCd2]
_chemical_formula_sum '[Mn2 Cd4]'
_cell_volume [115.3255]
_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  2  0.0826  0.8569  0.1584  1
  Cd  Cd1  2  0.2590  0.2470  0.5177  1
  Cd  Cd2  2  0.4175  0.6585  0.8404  1
]