data_[Ce2Tm16Sc10]
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 [I-4]
_cell_length_a [9.1522]
_cell_length_b [9.1522]
_cell_length_c [9.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CeTm8Sc5]
_chemical_formula_sum '[Ce2 Tm16 Sc10]'
_cell_volume [801.9952]
_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  0.5000  0.7500  1
  Tm  Tm1  8  0.0711  0.1714  0.8434  1
  Tm  Tm2  8  0.0881  0.3231  0.5031  1
  Sc  Sc3  8  0.1082  0.2947  0.1759  1
  Sc  Sc4  2  0.0000  0.0000  0.5000  1
]