data_[Ac6Mg12Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.8832]
_cell_length_b [14.7451]
_cell_length_c [11.0715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ac3Mg6Tl5]
_chemical_formula_sum '[Ac6 Mg12 Tl10]'
_cell_volume [797.1878]
_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
[
  Ac  Ac0  4  0.0000  0.3142  0.7545  1
  Ac  Ac1  2  0.0000  0.0000  0.7463  1
  Mg  Mg2  4  0.0000  0.1588  0.0111  1
  Mg  Mg3  4  0.0000  0.3254  0.4000  1
  Mg  Mg4  2  0.0000  0.5000  0.5496  1
  Mg  Mg5  2  0.0000  0.5000  0.9738  1
  Tl  Tl6  4  0.0000  0.1292  0.4704  1
  Tl  Tl7  4  0.0000  0.3424  0.1385  1
  Tl  Tl8  2  0.0000  0.0000  0.2038  1
]