data_[Pr10Y2Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8537]
_cell_length_b [13.6051]
_cell_length_c [7.8526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5YSb6]
_chemical_formula_sum '[Pr10 Y2 Sb12]'
_cell_volume [791.4011]
_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  0.0000  0.1687  0.5000  1.0
  Pr  Pr1  4  0.0000  0.3340  0.0000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  8  0.2458  0.1640  0.2459  1.0
  Sb  Sb5  4  0.2449  0.0000  0.7521  1.0
]