data_[Er6As2Pb2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1712]
_cell_length_b [4.0716]
_cell_length_c [10.9335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er3AsPbS]
_chemical_formula_sum '[Er6 As2 Pb2 S2]'
_cell_volume [311.4478]
_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  0.0438  0.7500  0.1556  1.0
  Er  Er1  2  0.2423  0.7500  0.5073  1.0
  Er  Er2  2  0.4410  0.2500  0.8374  1.0
  As  As3  2  0.2346  0.7500  0.9459  1.0
  Pb  Pb4  2  0.3509  0.2500  0.3102  1.0
  S  S5  2  0.1249  0.2500  0.6368  1.0
]