data_[Pr3Si7Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.2372]
_cell_length_b [4.2668]
_cell_length_c [13.0128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr3Si7Ir2]
_chemical_formula_sum '[Pr3 Si7 Ir2]'
_cell_volume [232.3591]
_cell_formula_units_Z [1]
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  0.1867  0.0000  0.3701  1.0
  Pr  Pr1  1  0.5000  0.5000  0.0000  1.0
  Si  Si2  2  0.0868  0.5000  0.1719  1.0
  Si  Si3  2  0.2712  0.5000  0.5553  1.0
  Si  Si4  2  0.4111  0.0000  0.8282  1.0
  Si  Si5  1  0.0000  0.0000  0.0000  1.0
  Ir  Ir6  2  0.3736  0.5000  0.7430  1.0
]