data_[Y8Tm4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8248]
_cell_length_b [16.6037]
_cell_length_c [11.4461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y2TmCuS5]
_chemical_formula_sum '[Y8 Tm4 Cu4 S20]'
_cell_volume [726.8980]
_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
[
  Y  Y0  4  0.0000  0.1070  0.6846  1.0
  Y  Y1  4  0.0000  0.1218  0.3071  1.0
  Tm  Tm2  4  0.0000  0.1948  0.0100  1.0
  Cu  Cu3  4  0.0000  0.4419  0.4564  1.0
  S  S4  4  0.0000  0.0430  0.0645  1.0
  S  S5  4  0.0000  0.2882  0.6749  1.0
  S  S6  4  0.0000  0.3153  0.3459  1.0
  S  S7  4  0.0000  0.3575  0.0011  1.0
  S  S8  4  0.0000  0.4976  0.7793  1.0
]