data_[Pr4Sm6Y2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [9.8230]
_cell_length_b [3.6014]
_cell_length_c [11.7670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2Sm3Y]
_chemical_formula_sum '[Pr4 Sm6 Y2]'
_cell_volume [415.5363]
_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
[
  Pr  Pr0  2  0.0849  0.2500  0.6230  1.0
  Pr  Pr1  2  0.4430  0.7500  0.1449  1.0
  Sm  Sm2  2  0.0757  0.7500  0.1191  1.0
  Sm  Sm3  2  0.2344  0.7500  0.8607  1.0
  Sm  Sm4  2  0.4016  0.7500  0.6007  1.0
  Y  Y5  2  0.2426  0.2500  0.3547  1.0
]