data_[Pr2Tm2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7715]
_cell_length_b [4.6862]
_cell_length_c [7.2127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrTmIr]
_chemical_formula_sum '[Pr2 Tm2 Ir2]'
_cell_volume [158.8082]
_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  0.2291  0.7500  0.8906  1.0
  Tm  Tm1  2  0.2661  0.2500  0.5109  1.0
  Ir  Ir2  2  0.1584  0.7500  0.2769  1.0
]