data_[Er12Rh4Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Rh  2.2800  1.3500  0.7450
  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 [18.8274]
_cell_length_b [3.9725]
_cell_length_c [8.5508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Rh2PbSe3]
_chemical_formula_sum '[Er12 Rh4 Pb2 Se6]'
_cell_volume [591.4176]
_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  0.0036  0.0000  0.7312  1.0
  Er  Er1  4  0.1763  0.5000  0.0918  1.0
  Er  Er2  4  0.1818  0.5000  0.5453  1.0
  Rh  Rh3  4  0.1526  0.0000  0.2935  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1650  0.0000  0.8192  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]