data_[Mn4Cd4Sn4Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0264]
_cell_length_b [13.6947]
_cell_length_c [10.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MnCdSnSe3]
_chemical_formula_sum '[Mn4 Cd4 Sn4 Se12]'
_cell_volume [587.1558]
_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  0.0000  0.0000  0.0000  1
  Cd  Cd1  4  0.0000  0.4858  0.2500  1
  Sn  Sn2  4  0.0000  0.2273  0.7500  1
  Se  Se3  8  0.0000  0.3692  0.0549  1
  Se  Se4  4  0.0000  0.1091  0.2500  1
]