data_[Ba8Y4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [4.5142]
_cell_length_b [20.6285]
_cell_length_c [14.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2YGaTe5]
_chemical_formula_sum '[Ba8 Y4 Ga4 Te20]'
_cell_volume [1327.4469]
_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  0.1220  0.1821  1.0
  Ba  Ba1  4  0.0000  0.1254  0.8186  1.0
  Y  Y2  4  0.0000  0.2056  0.5201  1.0
  Ga  Ga3  4  0.0000  0.4379  0.9255  1.0
  Te  Te4  4  0.0000  0.0484  0.5349  1.0
  Te  Te5  4  0.0000  0.2954  0.1652  1.0
  Te  Te6  4  0.0000  0.3123  0.8663  1.0
  Te  Te7  4  0.0000  0.3511  0.5017  1.0
  Te  Te8  4  0.0000  0.4996  0.7651  1.0
]