data_[Ce1Tm2Th1Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4087]
_cell_length_b [5.4087]
_cell_length_c [7.5354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CeTm2ThSc4]
_chemical_formula_sum '[Ce1 Tm2 Th1 Sc4]'
_cell_volume [220.4379]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.5000  1
  Tm  Tm1  1  0.0000  0.0000  0.0000  1
  Tm  Tm2  1  0.5000  0.5000  0.5000  1
  Th  Th3  1  0.5000  0.5000  0.0000  1
  Sc  Sc4  4  0.0000  0.5000  0.2530  1
]