data_[Ca4La6Tb2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7726]
_cell_length_b [13.4880]
_cell_length_c [7.8960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2La3TbTe6]
_chemical_formula_sum '[Ca4 La6 Tb2 Te12]'
_cell_volume [781.9855]
_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  4  0.0000  0.3338  0.0000  1.0
  La  La1  4  0.0000  0.1701  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  La  La3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2440  0.1654  0.2357  1.0
  Te  Te5  4  0.2498  0.5000  0.2408  1.0
]