data_[La6Tm8In8]
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 [Immm]
_cell_length_a [5.0942]
_cell_length_b [7.9228]
_cell_length_c [16.9093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(TmIn)4]
_chemical_formula_sum '[La6 Tm8 In8]'
_cell_volume [682.4596]
_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  0.0000  0.0000  0.1126  1
  La  La1  2  0.0000  0.5000  0.0000  1
  Tm  Tm2  8  0.0000  0.2106  0.3256  1
  In  In3  4  0.0000  0.3102  0.5000  1
  In  In4  4  0.0000  0.5000  0.2031  1
]