data_[Ca4La4Tb8Y16]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8830]
_cell_length_b [12.0222]
_cell_length_c [13.4596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaLa(TbY2)2]
_chemical_formula_sum '[Ca4 La4 Tb8 Y16]'
_cell_volume [1113.7675]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.2500  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  La  La2  4  0.0000  0.0000  0.5000  1
  Tb  Tb3  4  0.2500  0.2500  0.7500  1
  Y  Y4  8  0.0000  0.0144  0.7525  1
  Y  Y5  8  0.2468  0.7500  0.0037  1
]