data_[Pr4Ir1Pt1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3081]
_cell_length_b [4.2048]
_cell_length_c [7.9484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4IrPtCl2]
_chemical_formula_sum '[Pr4 Ir1 Pt1 Cl2]'
_cell_volume [231.7112]
_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  0.2301  0.5000  0.2055  1.0
  Pr  Pr1  2  0.2591  0.0000  0.7960  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl4  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  1  0.5000  0.0000  0.5000  1.0
]