data_[Tm4Zr8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.9983]
_cell_length_b [13.0187]
_cell_length_c [13.5860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [TmZr2S5]
_chemical_formula_sum '[Tm4 Zr8 S20]'
_cell_volume [884.0604]
_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
[
  Tm  Tm0  4  0.0000  0.0000  0.0000  1
  Zr  Zr1  8  0.0000  0.0000  0.3148  1
  S  S2  16  0.0000  0.1195  0.1675  1
  S  S3  4  0.0000  0.0000  0.5000  1
]