data_[Ba8Ho4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  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 [4.5052]
_cell_length_b [20.6049]
_cell_length_c [14.2339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoGaTe5]
_chemical_formula_sum '[Ba8 Ho4 Ga4 Te20]'
_cell_volume [1321.3069]
_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  0.1218  0.6869  1.0
  Ba  Ba1  4  0.0000  0.1262  0.3227  1.0
  Ho  Ho2  4  0.0000  0.2060  0.0245  1.0
  Ga  Ga3  4  0.0000  0.4380  0.4314  1.0
  Te  Te4  4  0.0000  0.0491  0.0411  1.0
  Te  Te5  4  0.0000  0.2950  0.6685  1.0
  Te  Te6  4  0.0000  0.3123  0.3716  1.0
  Te  Te7  4  0.0000  0.3507  0.0063  1.0
  Te  Te8  4  0.0000  0.4998  0.2710  1.0
]