data_[Mn4Cd4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0158]
_cell_length_b [4.0617]
_cell_length_c [14.9804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MnCdSe2]
_chemical_formula_sum '[Mn4 Cd4 Se8]'
_cell_volume [426.8828]
_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  0.1967  0.2500  0.8370  1.0
  Cd  Cd1  4  0.1749  0.7500  0.5890  1.0
  Se  Se2  4  0.1647  0.7500  0.1804  1.0
  Se  Se3  4  0.2021  0.2500  0.4302  1.0
]