data_[Ca2Nd12Sm4Y6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  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 [6.3708]
_cell_length_b [11.0195]
_cell_length_c [11.9826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaNd6Sm2Y3]
_chemical_formula_sum '[Ca2 Nd12 Sm4 Y6]'
_cell_volume [828.3212]
_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
  Nd  Nd1  8  0.2452  0.3303  0.7460  1.0
  Nd  Nd2  4  0.2457  0.5000  0.2548  1.0
  Sm  Sm3  4  0.0000  0.3332  0.0000  1.0
  Y  Y4  4  0.0000  0.1660  0.5000  1.0
  Y  Y5  2  0.0000  0.5000  0.5000  1.0
]