data_LaAsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   6.05
_cell_angle_alpha   116.41
_cell_angle_beta   116.41
_cell_angle_gamma   41.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAsPb2
_chemical_formula_sum   'La1 As1 Pb2'
_cell_volume   119.7
_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
  La  La1  1  0.51  0.0  0.46  1.0
  As  As0  1  0.65  0.0  0.31  1.0
  Pb  Pb2  1  0.21  0.0  0.29  1.0
  Pb  Pb3  1  0.88  0.0  0.24  1.0

data_LaAsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.85
_cell_length_c   6.05
_cell_angle_alpha   116.41
_cell_angle_beta   90.0
_cell_angle_gamma   110.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAsPb2
_chemical_formula_sum   'La1 As1 Pb2'
_cell_volume   119.7
_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
  La  La0  1  0.0  0.49  0.54  1.0
  As  As1  1  0.0  0.35  0.69  1.0
  Pb  Pb2  1  0.0  0.12  0.76  1.0
  Pb  Pb3  1  0.0  0.79  0.71  1.0

La As Pb Pb