data_[Ce2Cu2As1S1O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [P4mm]
_cell_length_a [3.9888]
_cell_length_b [3.9888]
_cell_length_c [8.7697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ce2Cu2AsSO2]
_chemical_formula_sum '[Ce2 Cu2 As1 S1 O2]'
_cell_volume [139.5297]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.0000  0.0000  0.8618  1
  Ce  Ce1  1  0.5000  0.5000  0.1498  1
  Cu  Cu2  2  0.0000  0.5000  0.4942  1
  As  As3  1  0.5000  0.5000  0.6566  1
  S  S4  1  0.0000  0.0000  0.3324  1
  O  O5  2  0.0000  0.5000  0.0055  1
]