data_[Pr2Y12Tm4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6745]
_cell_length_b [3.7045]
_cell_length_c [13.1210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(Y3Tm)2]
_chemical_formula_sum '[Pr2 Y12 Tm4]'
_cell_volume [589.8935]
_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  0.0000  1.0
  Y  Y1  4  0.0353  0.0000  0.6897  1.0
  Y  Y2  4  0.1455  0.5000  0.5228  1.0
  Y  Y3  4  0.1984  0.5000  0.8925  1.0
  Tm  Tm4  4  0.1712  0.5000  0.2556  1.0
]