data_[Ce10Tm2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2223]
_cell_length_b [12.5199]
_cell_length_c [7.2154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5TmSe6]
_chemical_formula_sum '[Ce10 Tm2 Se12]'
_cell_volume [614.7808]
_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  0.1705  0.5000  1
  Ce  Ce1  4  0.0000  0.3342  0.0000  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2424  0.1621  0.2425  1
  Se  Se5  4  0.2410  0.0000  0.7528  1
]