data_[Ac4Si1As1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6056]
_cell_length_b [4.5281]
_cell_length_c [7.8733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4SiAsCl2]
_chemical_formula_sum '[Ac4 Si1 As1 Cl2]'
_cell_volume [254.7296]
_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  0.2307  0.5000  0.2382  1
  Ac  Ac1  2  0.2318  0.0000  0.7500  1
  Si  Si2  1  0.0000  0.0000  0.0000  1
  As  As3  1  0.0000  0.5000  0.5000  1
  Cl  Cl4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.5000  0.5000  0.0000  1
]