data_[Sr6Cd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.3030]
_cell_length_b [8.8625]
_cell_length_c [6.2767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sr3CdSe4]
_chemical_formula_sum '[Sr6 Cd2 Se8]'
_cell_volume [573.1283]
_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
[
  Sr  Sr0  4  0.2446  0.6695  0.0710  1
  Sr  Sr1  2  0.0000  0.8514  0.5701  1
  Cd  Cd2  2  0.0000  0.1770  0.0122  1
  Se  Se3  4  0.2366  0.3215  0.0725  1
  Se  Se4  2  0.0000  0.1834  0.5746  1
  Se  Se5  2  0.0000  0.8658  0.0715  1
]