data_[Ca4Pr24Sm4Y8]
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/c]
_cell_length_a [9.4071]
_cell_length_b [15.5943]
_cell_length_c [9.8959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaPr6SmY2]
_chemical_formula_sum '[Ca4 Pr24 Sm4 Y8]'
_cell_volume [1439.5800]
_cell_formula_units_Z [4]
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  4  0.0000  0.4035  0.2500  1
  Pr  Pr1  8  0.0625  0.1721  0.4443  1
  Pr  Pr2  8  0.0982  0.3894  0.6197  1
  Pr  Pr3  8  0.2055  0.2286  0.8221  1
  Sm  Sm4  4  0.0000  0.0326  0.7500  1
  Y  Y5  8  0.2478  0.0470  0.0472  1
]