data_[Pr2Tm2Zn2]
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 [I4mm]
_cell_length_a [3.6180]
_cell_length_b [3.6180]
_cell_length_c [12.3780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PrTmZn]
_chemical_formula_sum '[Pr2 Tm2 Zn2]'
_cell_volume [162.0280]
_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  0.0000  0.0000  0.0161  1.0
  Tm  Tm1  2  0.0000  0.0000  0.3063  1.0
  Zn  Zn2  2  0.0000  0.0000  0.6776  1.0
]