data_[Er6Pb2Se2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8246]
_cell_length_b [3.9515]
_cell_length_c [8.8509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er3PbSeO]
_chemical_formula_sum '[Er6 Pb2 Se2 O2]'
_cell_volume [301.4196]
_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  0.1078  0.7500  0.8538  1
  Er  Er1  2  0.1596  0.2500  0.5166  1
  Er  Er2  2  0.4224  0.2500  0.1622  1
  Pb  Pb3  2  0.1792  0.7500  0.2262  1
  Se  Se4  2  0.3448  0.2500  0.8349  1
  O  O5  2  0.0884  0.7500  0.5961  1
]