data_[Ba8Cd4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4775]
_cell_length_b [21.8240]
_cell_length_c [13.3735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CdGaTe5]
_chemical_formula_sum '[Ba8 Cd4 Ga4 Te20]'
_cell_volume [1306.8263]
_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
[
  Ba  Ba0  4  0.0000  0.1156  0.2956  1
  Ba  Ba1  4  0.0000  0.1186  0.6818  1
  Cd  Cd2  4  0.0000  0.2334  0.0267  1
  Ga  Ga3  4  0.0000  0.4331  0.4437  1
  Te  Te4  4  0.0000  0.0393  0.0507  1
  Te  Te5  4  0.0000  0.2815  0.6744  1
  Te  Te6  4  0.0000  0.3133  0.3903  1
  Te  Te7  4  0.0000  0.3612  0.9900  1
  Te  Te8  4  0.0000  0.4917  0.2707  1
]