data_[Ce2Tm6Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3011]
_cell_length_b [3.4068]
_cell_length_c [10.1531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeTm3Sc]
_chemical_formula_sum '[Ce2 Tm6 Sc2]'
_cell_volume [276.0151]
_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
[
  Ce  Ce0  2  0.2470  0.7500  0.7438  1.0
  Tm  Tm1  2  0.0486  0.7500  0.1581  1.0
  Tm  Tm2  2  0.3487  0.2500  0.0463  1.0
  Tm  Tm3  2  0.4515  0.7500  0.3508  1.0
  Sc  Sc4  2  0.1461  0.2500  0.4551  1.0
]