data_[Sr10Tm2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2728]
_cell_length_b [12.5854]
_cell_length_c [7.2673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5TmS6]
_chemical_formula_sum '[Sr10 Tm2 S12]'
_cell_volume [626.8652]
_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
[
  Sr  Sr0  4  0.0000  0.1694  0.5000  1.0
  Sr  Sr1  4  0.0000  0.3339  0.0000  1.0
  Sr  Sr2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2363  0.1571  0.2378  1.0
  S  S5  4  0.2334  0.0000  0.7618  1.0
]