data_[Er2Cu4As4S4O8]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5656]
_cell_length_b [5.4694]
_cell_length_c [11.5162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCu2As2(SO2)2]
_chemical_formula_sum '[Er2 Cu4 As4 S4 O8]'
_cell_volume [348.0293]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.2563  0.5000  1.0
  As  As2  4  0.0283  0.5000  0.7988  1.0
  S  S3  4  0.2201  0.0000  0.3866  1.0
  O  O4  8  0.1873  0.2680  0.8843  1.0
]