data_[Pr4Sm2Y6As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3304]
_cell_length_b [4.2088]
_cell_length_c [8.3944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm(YAs2)3]
_chemical_formula_sum '[Pr4 Sm2 Y6 As12]'
_cell_volume [630.5683]
_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  4  0.1661  0.0000  0.3326  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Y  Y2  4  0.1669  0.0000  0.8338  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  As  As4  4  0.0026  0.0000  0.7482  1.0
  As  As5  4  0.1643  0.5000  0.5895  1.0
  As  As6  4  0.1675  0.5000  0.0764  1.0
]