data_[Pr2Y10Sb12]
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 [7.6563]
_cell_length_b [13.2638]
_cell_length_c [7.6557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY5Sb6]
_chemical_formula_sum '[Pr2 Y10 Sb12]'
_cell_volume [732.8057]
_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  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.0000  0.1641  0.5000  1
  Y  Y2  4  0.0000  0.3325  0.0000  1
  Y  Y3  2  0.0000  0.5000  0.5000  1
  Sb  Sb4  8  0.2454  0.6695  0.7456  1
  Sb  Sb5  4  0.2444  0.5000  0.2518  1
]