data_[Ba8Ho4Hg4Te20]
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
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5686]
_cell_length_b [20.5592]
_cell_length_c [14.1009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HoHgTe5]
_chemical_formula_sum '[Ba8 Ho4 Hg4 Te20]'
_cell_volume [1324.4454]
_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  0.1196  0.6919  1
  Ba  Ba1  4  0.0000  0.1299  0.3192  1
  Ho  Ho2  4  0.0000  0.2069  0.0151  1
  Hg  Hg3  4  0.0000  0.4518  0.4405  1
  Te  Te4  4  0.0000  0.0558  0.0601  1
  Te  Te5  4  0.0000  0.2932  0.6625  1
  Te  Te6  4  0.0000  0.3055  0.3660  1
  Te  Te7  4  0.0000  0.3536  0.0085  1
  Te  Te8  4  0.0000  0.4952  0.7602  1
]