data_[Ce2Tm6Sc14]
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 [Immm]
_cell_length_a [5.3832]
_cell_length_b [10.4951]
_cell_length_c [10.6374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CeTm3Sc7]
_chemical_formula_sum '[Ce2 Tm6 Sc14]'
_cell_volume [600.9846]
_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  0.0000  0.0000  0.5000  1
  Tm  Tm1  4  0.0000  0.2065  0.0000  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  8  0.0000  0.3079  0.2838  1
  Sc  Sc4  4  0.0000  0.0000  0.2126  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]