data_[Ta4Cd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4690]
_cell_length_b [7.4703]
_cell_length_c [7.6891]
_cell_angle_alpha [62.3299]
_cell_angle_beta [62.2692]
_cell_angle_gamma [60.3531]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta2CdSe4]
_chemical_formula_sum '[Ta4 Cd2 Se8]'
_cell_volume [314.3614]
_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
[
  Ta  Ta0  1  0.2090  0.5949  0.5758  1
  Ta  Ta1  1  0.5945  0.5929  0.5838  1
  Ta  Ta2  1  0.5983  0.2007  0.5814  1
  Ta  Ta3  1  0.6293  0.6415  0.1425  1
  Cd  Cd4  1  0.1690  0.1814  0.5870  1
  Cd  Cd5  1  0.9846  0.9909  0.0314  1
  Se  Se6  1  0.3643  0.3609  0.8790  1
  Se  Se7  1  0.3648  0.9030  0.3462  1
  Se  Se8  1  0.4201  0.4038  0.2762  1
  Se  Se9  1  0.4247  0.8606  0.8345  1
  Se  Se10  1  0.8543  0.8485  0.4192  1
  Se  Se11  1  0.8597  0.4292  0.8356  1
  Se  Se12  1  0.8793  0.8742  0.8201  1
  Se  Se13  1  0.8982  0.3676  0.3373  1
]