data_[Er12Sb6As4Pb2]
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
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5219]
_cell_length_b [4.2437]
_cell_length_c [8.6098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Sb3As2Pb]
_chemical_formula_sum '[Er12 Sb6 As4 Pb2]'
_cell_volume [661.6119]
_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  4  0.0085  0.0000  0.2607  1
  Er  Er1  4  0.1714  0.5000  0.5759  1
  Er  Er2  4  0.1718  0.5000  0.1031  1
  Sb  Sb3  4  0.1623  0.0000  0.8349  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  As  As5  4  0.1691  0.0000  0.3387  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]