data_[Ta2Cd4Se2]
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 [Cm]
_cell_length_a [9.9129]
_cell_length_b [3.2973]
_cell_length_c [5.5389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaCd2Se]
_chemical_formula_sum '[Ta2 Cd4 Se2]'
_cell_volume [164.1190]
_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  2  0.2365  0.0000  0.6342  1
  Cd  Cd1  2  0.2483  0.5000  0.1957  1
  Cd  Cd2  2  0.4832  0.5000  0.0504  1
  Se  Se3  2  0.0320  0.5000  0.6196  1
]