data_[Lu2Ag2Pb2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4816]
_cell_length_b [3.9723]
_cell_length_c [9.6554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuAgPbS3]
_chemical_formula_sum '[Lu2 Ag2 Pb2 S6]'
_cell_volume [275.9168]
_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
[
  Lu  Lu0  2  0.1944  0.2500  0.6531  1
  Ag  Ag1  2  0.4011  0.7500  0.9049  1
  Pb  Pb2  2  0.2322  0.7500  0.2024  1
  S  S3  2  0.0642  0.2500  0.3667  1
  S  S4  2  0.2024  0.2500  0.9476  1
  S  S5  2  0.4373  0.7500  0.6553  1
]