data_[Ac6La8In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [12.1650]
_cell_length_b [7.5837]
_cell_length_c [6.5256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ac3La4In]
_chemical_formula_sum '[Ac6 La8 In2]'
_cell_volume [602.0259]
_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  0.2296  0.1327  0.9851  1
  Ac  Ac1  4  0.2369  0.6268  0.9863  1
  La  La2  2  0.0000  0.1280  0.6289  1
  Ac  Ac3  2  0.0000  0.6251  0.6225  1
  La  La4  2  0.0000  0.9028  0.1754  1
  In  In5  2  0.0000  0.3752  0.1457  1
]