data_[La6Tm6Ni6]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8322]
_cell_length_b [11.4509]
_cell_length_c [8.1138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaTmNi]
_chemical_formula_sum '[La6 Tm6 Ni6]'
_cell_volume [448.9587]
_cell_formula_units_Z [6]
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  0.1986  0.0775  1
  La  La1  2  0.0000  0.0000  0.6519  1
  Tm  Tm2  4  0.5000  0.1423  0.3682  1
  Tm  Tm3  2  0.5000  0.0000  0.9702  1
  Ni  Ni4  4  0.5000  0.1538  0.7081  1
  Ni  Ni5  2  0.0000  0.0000  0.2905  1
]