data_[Ba2La1Tb1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3091]
_cell_length_b [4.2307]
_cell_length_c [7.5676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2LaTbS4]
_chemical_formula_sum '[Ba2 La1 Tb1 S4]'
_cell_volume [221.6484]
_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
  Tb  Tb2  1  0.0000  0.0000  0.0000  1.0
  La  La3  1  0.5000  0.5000  0.0000  1.0
  S  S4  2  0.2289  0.5000  0.2136  1.0
  S  S5  2  0.2504  0.0000  0.7813  1.0
]