data_[Ba8Ho4In4Te20]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5827]
_cell_length_b [20.5800]
_cell_length_c [14.3274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoInTe5]
_chemical_formula_sum '[Ba8 Ho4 In4 Te20]'
_cell_volume [1351.2480]
_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  0.1199  0.6849  1.0
  Ba  Ba1  4  0.0000  0.1305  0.3180  1.0
  Ho  Ho2  4  0.0000  0.2093  0.0214  1.0
  In  In3  4  0.0000  0.4425  0.4387  1.0
  Te  Te4  4  0.0000  0.0518  0.0576  1.0
  Te  Te5  4  0.0000  0.2916  0.6634  1.0
  Te  Te6  4  0.0000  0.3094  0.3696  1.0
  Te  Te7  4  0.0000  0.3543  0.0040  1.0
  Te  Te8  4  0.0000  0.4965  0.7664  1.0
]