data_[Y4Tm8Cu4S20]
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 [3.7692]
_cell_length_b [16.8381]
_cell_length_c [11.2142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [YTm2CuS5]
_chemical_formula_sum '[Y4 Tm8 Cu4 S20]'
_cell_volume [711.7228]
_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  0.1945  0.0101  1.0
  Tm  Tm1  4  0.0000  0.1027  0.6830  1.0
  Tm  Tm2  4  0.0000  0.1166  0.3058  1.0
  Cu  Cu3  4  0.0000  0.4411  0.4556  1.0
  S  S4  4  0.0000  0.0422  0.0660  1.0
  S  S5  4  0.0000  0.2921  0.6834  1.0
  S  S6  4  0.0000  0.3223  0.3395  1.0
  S  S7  4  0.0000  0.3583  0.0018  1.0
  S  S8  4  0.0000  0.4968  0.7787  1.0
]