data_[Ca6Tb2Ce4Se12]
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
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2168]
_cell_length_b [12.4908]
_cell_length_c [7.3477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Tb(CeSe3)2]
_chemical_formula_sum '[Ca6 Tb2 Ce4 Se12]'
_cell_volume [625.8966]
_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  0.1675  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Ce  Ce3  4  0.0000  0.3336  0.0000  1
  Se  Se4  8  0.2480  0.1637  0.2531  1
  Se  Se5  4  0.2428  0.0000  0.7468  1
]