data_[Sr8Tm4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [3.9352]
_cell_length_b [17.8248]
_cell_length_c [12.3814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TmGaS5]
_chemical_formula_sum '[Sr8 Tm4 Ga4 S20]'
_cell_volume [868.4970]
_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
[
  Sr  Sr0  4  0.0000  0.1171  0.6815  1.0
  Sr  Sr1  4  0.0000  0.1266  0.3224  1.0
  Tm  Tm2  4  0.0000  0.2082  0.0260  1.0
  Ga  Ga3  4  0.0000  0.4425  0.4327  1.0
  S  S4  4  0.0000  0.0470  0.0383  1.0
  S  S5  4  0.0000  0.2929  0.6712  1.0
  S  S6  4  0.0000  0.3168  0.3731  1.0
  S  S7  4  0.0000  0.3536  0.0052  1.0
  S  S8  4  0.0000  0.4985  0.7736  1.0
]