data_[Pr2Tm4Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9500]
_cell_length_b [3.4481]
_cell_length_c [16.6053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrTm2Sc3]
_chemical_formula_sum '[Pr2 Tm4 Sc6]'
_cell_volume [338.2571]
_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  0.4722  0.2500  0.1684  1
  Tm  Tm1  2  0.0256  0.2500  0.8324  1
  Tm  Tm2  2  0.2498  0.2500  0.5000  1
  Sc  Sc3  2  0.1363  0.7500  0.6651  1
  Sc  Sc4  2  0.2454  0.7500  0.9985  1
  Sc  Sc5  2  0.3606  0.7500  0.3365  1
]