data_[Ba2Na2Lu2S6]
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
  Lu  1.2700  1.7500  1.0010
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3569]
_cell_length_b [4.1641]
_cell_length_c [9.2040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaLuS3]
_chemical_formula_sum '[Ba2 Na2 Lu2 S6]'
_cell_volume [305.5800]
_cell_formula_units_Z [2]
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  2  0.2243  0.2500  0.2485  1
  Na  Na1  2  0.0913  0.2500  0.5863  1
  Lu  Lu2  2  0.3254  0.7500  0.8485  1
  S  S3  2  0.1160  0.2500  0.8735  1
  S  S4  2  0.2571  0.7500  0.5377  1
  S  S5  2  0.4585  0.7500  0.1493  1
]