data_[Ca2Tb6Sm12Er4]
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
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2802]
_cell_length_b [10.8696]
_cell_length_c [11.8279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb3(Sm3Er)2]
_chemical_formula_sum '[Ca2 Tb6 Sm12 Er4]'
_cell_volume [794.9291]
_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  0.1661  0.5000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  8  0.2455  0.3297  0.7485  1.0
  Sm  Sm4  4  0.2434  0.5000  0.2522  1.0
  Er  Er5  4  0.0000  0.3337  0.0000  1.0
]