data_[Ba8Tm4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0382]
_cell_length_b [18.3429]
_cell_length_c [12.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TmGaS5]
_chemical_formula_sum '[Ba8 Tm4 Ga4 S20]'
_cell_volume [962.0169]
_cell_formula_units_Z [4]
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  4  0.0000  0.1203  0.6846  1.0
  Ba  Ba1  4  0.0000  0.1290  0.3239  1.0
  Tm  Tm2  4  0.0000  0.2055  0.0265  1.0
  Ga  Ga3  4  0.0000  0.4398  0.4300  1.0
  S  S4  4  0.0000  0.0486  0.0293  1.0
  S  S5  4  0.0000  0.2959  0.6623  1.0
  S  S6  4  0.0000  0.3164  0.3806  1.0
  S  S7  4  0.0000  0.3465  0.0069  1.0
  S  S8  4  0.0000  0.4996  0.2798  1.0
]