data_[Ca2Tb4Y2Sb8]
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
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2570]
_cell_length_b [6.2570]
_cell_length_c [12.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [CaTb2YSb4]
_chemical_formula_sum '[Ca2 Tb4 Y2 Sb8]'
_cell_volume [490.7275]
_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  0.5000  0.2500  1.0
  Y  Y2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  4  0.0000  0.0000  0.2541  1.0
  Sb  Sb4  4  0.0000  0.5000  0.0000  1.0
]