data_[Pr6Y4Tm12Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1379]
_cell_length_b [10.6137]
_cell_length_c [11.6471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Y2Tm6Zr]
_chemical_formula_sum '[Pr6 Y4 Tm12 Zr2]'
_cell_volume [747.0463]
_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  0.1659  0.5000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3333  0.0000  1.0
  Tm  Tm3  8  0.2426  0.1627  0.2413  1.0
  Tm  Tm4  4  0.2454  0.0000  0.7591  1.0
  Zr  Zr5  2  0.0000  0.0000  0.0000  1.0
]