data_[Pr7Tm1Sc4]
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 [P-1]
_cell_length_a [6.2135]
_cell_length_b [7.1424]
_cell_length_c [8.7835]
_cell_angle_alpha [89.9413]
_cell_angle_beta [76.4873]
_cell_angle_gamma [89.8500]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr7TmSc4]
_chemical_formula_sum '[Pr7 Tm1 Sc4]'
_cell_volume [379.0159]
_cell_formula_units_Z [1]
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  0.2225  0.0017  0.3351  1
  Pr  Pr1  2  0.2905  0.7455  0.6591  1
  Pr  Pr2  2  0.4976  0.2576  0.9875  1
  Pr  Pr3  1  0.0000  0.5000  0.0000  1
  Tm  Tm4  1  0.0000  0.0000  0.0000  1
  Sc  Sc5  2  0.2113  0.4991  0.3422  1
  Sc  Sc6  2  0.2689  0.2597  0.6639  1
]