data_[Ca2Tb4Tm6Te12]
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
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0200]
_cell_length_b [4.3490]
_cell_length_c [8.7282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb2(TmTe2)3]
_chemical_formula_sum '[Ca2 Tb4 Tm6 Te12]'
_cell_volume [701.5763]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Tb  Tb1  4  0.1728  0.0000  0.3451  1
  Tm  Tm2  4  0.1673  0.0000  0.8258  1
  Tm  Tm3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0007  0.0000  0.2549  1
  Te  Te5  4  0.1624  0.5000  0.5861  1
  Te  Te6  4  0.1683  0.5000  0.0794  1
]