data_[Ba2Ac1La1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5378]
_cell_length_b [4.3571]
_cell_length_c [7.6655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2AcLaS4]
_chemical_formula_sum '[Ba2 Ac1 La1 S4]'
_cell_volume [237.8165]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.5000  1
  Ba  Ba1  1  0.5000  0.0000  0.5000  1
  La  La2  1  0.0000  0.0000  0.0000  1
  Ac  Ac3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2371  0.5000  0.2257  1
  S  S5  2  0.2518  0.0000  0.7711  1
]