data_[Er8Ga4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  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 [3.7351]
_cell_length_b [17.9504]
_cell_length_c [10.7445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2GaCuS5]
_chemical_formula_sum '[Er8 Ga4 Cu4 S20]'
_cell_volume [720.3801]
_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  0.1004  0.6718  1.0
  Er  Er1  4  0.0000  0.1132  0.2914  1.0
  Ga  Ga2  4  0.0000  0.4063  0.4683  1.0
  Cu  Cu3  4  0.0000  0.2551  0.1101  1.0
  S  S4  4  0.0000  0.0395  0.0563  1.0
  S  S5  4  0.0000  0.3146  0.6429  1.0
  S  S6  4  0.0000  0.3207  0.3112  1.0
  S  S7  4  0.0000  0.3587  0.9880  1.0
  S  S8  4  0.0000  0.4977  0.2841  1.0
]