data_[Lu1As3Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7324]
_cell_length_b [5.7370]
_cell_length_c [18.3092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0906]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Lu(AsPb)3]
_chemical_formula_sum '[Lu1 As3 Pb3]'
_cell_volume [602.1237]
_cell_formula_units_Z [1]
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  1  0.1826  0.0697  0.4452  1
  As  As1  1  0.1775  0.5691  0.4197  1
  As  As2  1  0.1849  0.0776  0.6005  1
  As  As3  1  0.6826  0.0493  0.4208  1
  Pb  Pb4  1  0.1682  0.5733  0.5759  1
  Pb  Pb5  1  0.6757  0.5434  0.4604  1
  Pb  Pb6  1  0.6835  0.0124  0.5774  1
]