data_[Er12Sb2Pb6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3205]
_cell_length_b [12.6045]
_cell_length_c [7.6393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6SbPb3Se2]
_chemical_formula_sum '[Er12 Sb2 Pb6 Se4]'
_cell_volume [668.6307]
_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  8  0.2498  0.3294  0.7602  1.0
  Er  Er1  4  0.2352  0.5000  0.2330  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0000  0.1616  0.5000  1.0
  Pb  Pb4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  4  0.0000  0.3327  0.0000  1.0
]