data_[Er4Cu4Pb4S12]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9191]
_cell_length_b [13.0821]
_cell_length_c [10.1525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErCuPbS3]
_chemical_formula_sum '[Er4 Cu4 Pb4 S12]'
_cell_volume [520.5158]
_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  0.0033  0.5018  1.0
  Cu  Cu1  4  0.0000  0.4669  0.2505  1.0
  Pb  Pb2  4  0.0000  0.2518  0.7738  1.0
  S  S3  4  0.0000  0.0729  0.2500  1.0
  S  S4  4  0.0000  0.3622  0.0649  1.0
  S  S5  4  0.0000  0.3644  0.4365  1.0
]