data_[Ca2La6Tb4Sm12]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3887]
_cell_length_b [10.9730]
_cell_length_c [12.1190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa3(TbSm3)2]
_chemical_formula_sum '[Ca2 La6 Tb4 Sm12]'
_cell_volume [837.6494]
_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
  La  La1  4  0.0000  0.1660  0.5000  1.0
  Tb  Tb2  4  0.0000  0.3344  0.0000  1.0
  La  La3  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm4  8  0.2471  0.3302  0.7528  1.0
  Sm  Sm5  4  0.2428  0.5000  0.2475  1.0
]