data_[Ba1As2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4111]
_cell_length_b [5.1533]
_cell_length_c [5.4748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaAs2Pb]
_chemical_formula_sum '[Ba1 As2 Pb1]'
_cell_volume [124.1529]
_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
[
  Ba  Ba0  1  0.4253  0.0000  0.4305  1
  As  As1  1  0.8493  0.5000  0.2114  1
  As  As2  1  0.9195  0.0000  0.9798  1
  Pb  Pb3  1  0.3058  0.5000  0.8782  1
]