data_[Ca2Tb4Pr6Se12]
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
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1939]
_cell_length_b [12.4882]
_cell_length_c [7.3753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb2(PrSe2)3]
_chemical_formula_sum '[Ca2 Tb4 Pr6 Se12]'
_cell_volume [626.1721]
_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  0.0000  0.0000  1.0
  Tb  Tb1  4  0.0000  0.3326  0.0000  1.0
  Pr  Pr2  4  0.0000  0.1651  0.5000  1.0
  Pr  Pr3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2457  0.1672  0.2365  1.0
  Se  Se5  4  0.2438  0.5000  0.2328  1.0
]