data_[Ce2Sm12Y6Tm4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1820]
_cell_length_b [10.6997]
_cell_length_c [11.7906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSm6Y3Tm2]
_chemical_formula_sum '[Ce2 Sm12 Y6 Tm4]'
_cell_volume [767.8947]
_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  0.0000  1.0
  Sm  Sm1  8  0.2483  0.1659  0.2481  1.0
  Sm  Sm2  4  0.2493  0.0000  0.7519  1.0
  Y  Y3  4  0.0000  0.1673  0.5000  1.0
  Y  Y4  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm5  4  0.0000  0.3335  0.0000  1.0
]