data_[Er12Te6Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  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 [7.3133]
_cell_length_b [12.6395]
_cell_length_c [7.4692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Te3PbSe2]
_chemical_formula_sum '[Er12 Te6 Pb2 Se4]'
_cell_volume [652.6197]
_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  0.2490  0.1730  0.2269  1
  Er  Er1  4  0.2275  0.5000  0.2231  1
  Te  Te2  4  0.0000  0.1621  0.5000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Pb  Pb4  2  0.0000  0.0000  0.0000  1
  Se  Se5  4  0.0000  0.3322  0.0000  1
]