data_[Ca3Tb3Er12Te24]
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
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.0451]
_cell_length_b [9.0451]
_cell_length_c [22.2274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaTb(ErTe2)4]
_chemical_formula_sum '[Ca3 Tb3 Er12 Te24]'
_cell_volume [1574.8696]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3741  1
  Tb  Tb1  3  0.0000  0.0000  0.0023  1
  Er  Er2  9  0.1693  0.3386  0.8326  1
  Er  Er3  3  0.0000  0.0000  0.6253  1
  Te  Te4  9  0.0245  0.5123  0.7545  1
  Te  Te5  9  0.1764  0.3527  0.5798  1
  Te  Te6  3  0.0000  0.0000  0.2395  1
  Te  Te7  3  0.0000  0.0000  0.7582  1
]