data_[Ba2Tm2B2S8]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1187]
_cell_length_b [6.4175]
_cell_length_c [8.3313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTmBS4]
_chemical_formula_sum '[Ba2 Tm2 B2 S8]'
_cell_volume [310.7631]
_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  0.2792  0.2500  0.0730  1.0
  Tm  Tm1  2  0.2291  0.2500  0.5511  1.0
  B  B2  2  0.2123  0.7500  0.3210  1.0
  S  S3  4  0.0097  0.5102  0.2806  1.0
  S  S4  2  0.3972  0.7500  0.1658  1.0
  S  S5  2  0.3997  0.7500  0.5554  1.0
]