data_[La4Tm16In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6901]
_cell_length_b [5.3021]
_cell_length_c [6.8850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tm8In]
_chemical_formula_sum '[La4 Tm16 In2]'
_cell_volume [679.4773]
_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
[
  La  La0  4  0.2198  0.0000  0.6657  1.0
  Tm  Tm1  4  0.0356  0.0000  0.7436  1.0
  Tm  Tm2  4  0.0882  0.5000  0.4217  1.0
  Tm  Tm3  4  0.1549  0.0000  0.1707  1.0
  Tm  Tm4  4  0.1580  0.5000  0.9074  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]