data_[Ca2La4Sm12Y6]
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
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3450]
_cell_length_b [10.9250]
_cell_length_c [12.0667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa2(Sm2Y)3]
_chemical_formula_sum '[Ca2 La4 Sm12 Y6]'
_cell_volume [824.4085]
_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  0.3340  0.0000  1.0
  Sm  Sm2  8  0.2455  0.3316  0.7431  1.0
  Sm  Sm3  4  0.2494  0.5000  0.2578  1.0
  Y  Y4  4  0.0000  0.1658  0.5000  1.0
  Y  Y5  2  0.0000  0.5000  0.5000  1.0
]