data_[Ce4Tm6Pu2As12]
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
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9828]
_cell_length_b [4.1354]
_cell_length_c [8.2408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Tm3PuAs6]
_chemical_formula_sum '[Ce4 Tm6 Pu2 As12]'
_cell_volume [596.7669]
_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  0.1656  0.0000  0.3316  1
  Tm  Tm1  4  0.1668  0.0000  0.8338  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.0020  0.0000  0.7485  1
  As  As5  4  0.1653  0.5000  0.5875  1
  As  As6  4  0.1679  0.5000  0.0787  1
]