data_[Ba2Sr1Tm1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3761]
_cell_length_b [4.2275]
_cell_length_c [7.5345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2SrTmS4]
_chemical_formula_sum '[Ba2 Sr1 Tm1 S4]'
_cell_volume [222.4977]
_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
  Sr  Sr2  1  0.5000  0.5000  0.0000  1.0
  Tm  Tm3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2216  0.5000  0.2114  1.0
  S  S5  2  0.2410  0.0000  0.7812  1.0
]