data_[Ca8Ho4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [4.2816]
_cell_length_b [19.7518]
_cell_length_c [13.4567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2HoGaTe5]
_chemical_formula_sum '[Ca8 Ho4 Ga4 Te20]'
_cell_volume [1138.0119]
_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
[
  Ca  Ca0  4  0.0000  0.1194  0.6774  1
  Ca  Ca1  4  0.0000  0.1237  0.3224  1
  Ho  Ho2  4  0.0000  0.2042  0.0234  1
  Ga  Ga3  4  0.0000  0.4404  0.4363  1
  Te  Te4  4  0.0000  0.0440  0.0543  1
  Te  Te5  4  0.0000  0.2920  0.6817  1
  Te  Te6  4  0.0000  0.3142  0.3581  1
  Te  Te7  4  0.0000  0.3567  0.0035  1
  Te  Te8  4  0.0000  0.4972  0.7669  1
]