data_[Pr4Te2Ir1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5430]
_cell_length_b [4.2622]
_cell_length_c [7.7845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Te2IrS]
_chemical_formula_sum '[Pr4 Te2 Ir1 S1]'
_cell_volume [237.3051]
_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  0.2428  0.5000  0.2163  1
  Pr  Pr1  2  0.2730  0.0000  0.7903  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Ir  Ir4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]