data_[Mo2As4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8073]
_cell_length_b [3.3359]
_cell_length_c [6.5910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoAs2Pb]
_chemical_formula_sum '[Mo2 As4 Pb2]'
_cell_volume [184.6743]
_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
[
  Mo  Mo0  2  0.4702  0.0000  0.6610  1
  As  As1  2  0.0208  0.0000  0.9582  1
  As  As2  2  0.1751  0.0000  0.6238  1
  Pb  Pb3  2  0.3340  0.5000  0.2570  1
]