data_[Pr6Tm4Zn6]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6598]
_cell_length_b [5.3442]
_cell_length_c [21.8024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Tm2Zn3]
_chemical_formula_sum '[Pr6 Tm4 Zn6]'
_cell_volume [426.4261]
_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  4  0.0000  0.0000  0.3795  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.5000  0.2698  1.0
  Zn  Zn3  4  0.0000  0.0000  0.1214  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
]