data_[Er4Cu4Sb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8776]
_cell_length_b [19.4259]
_cell_length_c [11.9659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErCuSb2S5]
_chemical_formula_sum '[Er4 Cu4 Sb8 S20]'
_cell_volume [901.3423]
_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
[
  Er  Er0  4  0.0000  0.1993  0.0127  1.0
  Cu  Cu1  4  0.0000  0.4265  0.4556  1.0
  Sb  Sb2  4  0.0000  0.0775  0.2662  1.0
  Sb  Sb3  4  0.0000  0.1616  0.6743  1.0
  S  S4  4  0.0000  0.0594  0.0598  1.0
  S  S5  4  0.0000  0.2901  0.6738  1.0
  S  S6  4  0.0000  0.3195  0.3626  1.0
  S  S7  4  0.0000  0.3402  0.0262  1.0
  S  S8  4  0.0000  0.4916  0.2928  1.0
]