data_[Ba8Ca4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  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 [4.5353]
_cell_length_b [20.5052]
_cell_length_c [14.2742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CaGaTe5]
_chemical_formula_sum '[Ba8 Ca4 Ga4 Te20]'
_cell_volume [1327.4599]
_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  0.1219  0.6894  1.0
  Ba  Ba1  4  0.0000  0.1249  0.3261  1.0
  Ca  Ca2  4  0.0000  0.2066  0.0215  1.0
  Ga  Ga3  4  0.0000  0.4340  0.4295  1.0
  Te  Te4  4  0.0000  0.0480  0.0390  1.0
  Te  Te5  4  0.0000  0.2997  0.6730  1.0
  Te  Te6  4  0.0000  0.3100  0.3640  1.0
  Te  Te7  4  0.0000  0.3582  0.0099  1.0
  Te  Te8  4  0.0000  0.4992  0.2716  1.0
]