data_[Ca2Tb12Sm6Dy4]
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
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2580]
_cell_length_b [10.7769]
_cell_length_c [11.9414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb6Sm3Dy2]
_chemical_formula_sum '[Ca2 Tb12 Sm6 Dy4]'
_cell_volume [793.0771]
_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  8  0.2465  0.3305  0.7492  1.0
  Tb  Tb2  4  0.2448  0.5000  0.2512  1.0
  Sm  Sm3  4  0.0000  0.1655  0.5000  1.0
  Sm  Sm4  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy5  4  0.0000  0.3340  0.0000  1.0
]