data_[La4Tm8In4]
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 [Pnma]
_cell_length_a [13.3097]
_cell_length_b [5.3612]
_cell_length_c [6.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaTm2In]
_chemical_formula_sum '[La4 Tm8 In4]'
_cell_volume [481.9448]
_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  0.1327  0.2500  0.0867  1
  Tm  Tm1  4  0.0541  0.7500  0.3706  1
  Tm  Tm2  4  0.2007  0.2500  0.6000  1
  In  In3  4  0.1103  0.7500  0.8125  1
]