data_[Sr10Tb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3019]
_cell_length_b [12.6356]
_cell_length_c [7.2986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5TbS6]
_chemical_formula_sum '[Sr10 Tb2 S12]'
_cell_volume [634.5529]
_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  0.1689  0.5000  1.0
  Sr  Sr1  4  0.0000  0.3338  0.0000  1.0
  Sr  Sr2  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2391  0.1590  0.2404  1.0
  S  S5  4  0.2368  0.0000  0.7592  1.0
]