data_[Ce4Er4Tm12Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8874]
_cell_length_b [14.6557]
_cell_length_c [9.7854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeErTm3Sc]
_chemical_formula_sum '[Ce4 Er4 Tm12 Sc4]'
_cell_volume [700.9122]
_cell_formula_units_Z [4]
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  4  0.0000  0.4986  0.7500  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  8  0.0000  0.3342  0.5005  1.0
  Tm  Tm3  4  0.0000  0.1692  0.7500  1.0
  Sc  Sc4  4  0.0000  0.1671  0.2500  1.0
]