data_[Ac1La12Tm5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [10.7439]
_cell_length_b [5.8342]
_cell_length_c [10.7860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AcLa12Tm5]
_chemical_formula_sum '[Ac1 La12 Tm5]'
_cell_volume [634.9976]
_cell_formula_units_Z [1]
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  2  0.0114  0.0000  0.6672  1
  La  La1  2  0.1677  0.5000  0.5472  1
  La  La2  2  0.1782  0.5000  0.2329  1
  La  La3  2  0.3320  0.0000  0.2817  1
  La  La4  2  0.3342  0.0000  0.9469  1
  La  La5  2  0.4944  0.5000  0.8297  1
  Ac  Ac6  1  0.0000  0.0000  0.0000  1
  Tm  Tm7  2  0.1627  0.5000  0.8851  1
  Tm  Tm8  2  0.3389  0.0000  0.6100  1
  Tm  Tm9  1  0.5000  0.5000  0.5000  1
]