data_[Ba2Na1La1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  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 [7.5126]
_cell_length_b [4.4009]
_cell_length_c [7.5479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2NaLaS4]
_chemical_formula_sum '[Ba2 Na1 La1 S4]'
_cell_volume [236.2019]
_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  1.0
  Ba  Ba1  1  0.5000  0.0000  0.5000  1.0
  Na  Na2  1  0.5000  0.5000  0.0000  1.0
  La  La3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2350  0.5000  0.2252  1.0
  S  S5  2  0.2404  0.0000  0.7674  1.0
]