data_[La8Tm4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1207]
_cell_length_b [17.7300]
_cell_length_c [12.2395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TmCuSe5]
_chemical_formula_sum '[La8 Tm4 Cu4 Se20]'
_cell_volume [894.2240]
_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
[
  La  La0  4  0.0000  0.1111  0.6878  1.0
  La  La1  4  0.0000  0.1226  0.3128  1.0
  Tm  Tm2  4  0.0000  0.1933  0.0120  1.0
  Cu  Cu3  4  0.0000  0.4360  0.4520  1.0
  Se  Se4  4  0.0000  0.0422  0.0564  1.0
  Se  Se5  4  0.0000  0.2903  0.6706  1.0
  Se  Se6  4  0.0000  0.3097  0.3518  1.0
  Se  Se7  4  0.0000  0.3541  0.0032  1.0
  Se  Se8  4  0.0000  0.4992  0.7774  1.0
]