data_[Ba8Dy4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  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 [4.5129]
_cell_length_b [20.6351]
_cell_length_c [14.2457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2DyGaTe5]
_chemical_formula_sum '[Ba8 Dy4 Ga4 Te20]'
_cell_volume [1326.6094]
_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  0.1221  0.6816  1.0
  Ba  Ba1  4  0.0000  0.1254  0.3178  1.0
  Dy  Dy2  4  0.0000  0.2057  0.0194  1.0
  Ga  Ga3  4  0.0000  0.4378  0.4254  1.0
  Te  Te4  4  0.0000  0.0485  0.0349  1.0
  Te  Te5  4  0.0000  0.2954  0.6642  1.0
  Te  Te6  4  0.0000  0.3123  0.3659  1.0
  Te  Te7  4  0.0000  0.3508  0.0010  1.0
  Te  Te8  4  0.0000  0.4994  0.2649  1.0
]