data_[Sr2Ac3Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7889]
_cell_length_b [5.7889]
_cell_length_c [11.2983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr2Ac3Tl4]
_chemical_formula_sum '[Sr2 Ac3 Tl4]'
_cell_volume [327.8955]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.7829  1
  Ac  Ac1  2  0.3333  0.6667  0.4086  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Tl  Tl3  2  0.0000  0.0000  0.3507  1
  Tl  Tl4  2  0.3333  0.6667  0.0946  1
]