data_[Ac4As1Pt2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5242]
_cell_length_b [4.3560]
_cell_length_c [7.9688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4AsPt2S]
_chemical_formula_sum '[Ac4 As1 Pt2 S1]'
_cell_volume [247.9906]
_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
[
  Ac  Ac0  2  0.2470  0.0000  0.7390  1
  Ac  Ac1  2  0.2532  0.5000  0.2593  1
  As  As2  1  0.5000  0.5000  0.0000  1
  Pt  Pt3  1  0.0000  0.5000  0.5000  1
  Pt  Pt4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]