data_[Ca8Tb4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  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 [4.2946]
_cell_length_b [19.8281]
_cell_length_c [13.4695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2TbGaTe5]
_chemical_formula_sum '[Ca8 Tb4 Ga4 Te20]'
_cell_volume [1146.9685]
_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  0.1190  0.6775  1.0
  Ca  Ca1  4  0.0000  0.1229  0.3227  1.0
  Tb  Tb2  4  0.0000  0.2043  0.0232  1.0
  Ga  Ga3  4  0.0000  0.4404  0.4364  1.0
  Te  Te4  4  0.0000  0.0436  0.0543  1.0
  Te  Te5  4  0.0000  0.2926  0.6831  1.0
  Te  Te6  4  0.0000  0.3152  0.3562  1.0
  Te  Te7  4  0.0000  0.3573  0.0037  1.0
  Te  Te8  4  0.0000  0.4972  0.7669  1.0
]