data_[Ca2Pr6Sm12Y4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  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 [6.3519]
_cell_length_b [11.0073]
_cell_length_c [12.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr3(Sm3Y)2]
_chemical_formula_sum '[Ca2 Pr6 Sm12 Y4]'
_cell_volume [831.5855]
_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
  Pr  Pr1  4  0.0000  0.1661  0.5000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  8  0.2462  0.3300  0.7511  1
  Sm  Sm4  4  0.2441  0.5000  0.2492  1
  Y  Y5  4  0.0000  0.3332  0.0000  1
]