data_[Lu4Ag4Pb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ag  1.9300  1.6000  1.0867
  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 [17.8902]
_cell_length_b [4.0567]
_cell_length_c [8.6692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LuAgPbSe3]
_chemical_formula_sum '[Lu4 Ag4 Pb4 Se12]'
_cell_volume [613.1317]
_cell_formula_units_Z [4]
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
[
  Lu  Lu0  4  0.1644  0.0000  0.5865  1
  Ag  Ag1  4  0.0271  0.5000  0.7130  1
  Pb  Pb2  4  0.1335  0.0000  0.0726  1
  Se  Se3  4  0.1729  0.5000  0.3621  1
  Se  Se4  4  0.1836  0.5000  0.8204  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]