data_[Ce4Pr6Y12Tm2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  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 [6.2344]
_cell_length_b [10.7867]
_cell_length_c [11.8257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Pr3Y6Tm]
_chemical_formula_sum '[Ce4 Pr6 Y12 Tm2]'
_cell_volume [782.9364]
_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  4  0.0000  0.3336  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1660  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  8  0.2493  0.1676  0.2446  1.0
  Y  Y4  4  0.2466  0.5000  0.2448  1.0
  Tm  Tm5  2  0.0000  0.0000  0.0000  1.0
]