data_[Er2Cu2Pb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5474]
_cell_length_b [4.0521]
_cell_length_c [9.0505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErCuPbSe3]
_chemical_formula_sum '[Er2 Cu2 Pb2 Se6]'
_cell_volume [303.7387]
_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  0.3252  0.7500  0.8332  1.0
  Cu  Cu1  2  0.0784  0.2500  0.5814  1.0
  Pb  Pb2  2  0.1886  0.2500  0.2416  1.0
  Se  Se3  2  0.1022  0.2500  0.8638  1.0
  Se  Se4  2  0.2261  0.7500  0.5134  1.0
  Se  Se5  2  0.4382  0.7500  0.1616  1.0
]