data_MoAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   135.09
_cell_angle_beta   135.09
_cell_angle_gamma   65.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2Pb
_chemical_formula_sum   'Mo1 As2 Pb1'
_cell_volume   82.14
_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
  Mo  Mo2  1  0.0  0.0  0.64  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.1  0.0  0.32  1.0
  Pb  Pb3  1  0.0  0.1  0.32  1.0

data_MoAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.51
_cell_angle_alpha   112.45
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2Pb
_chemical_formula_sum   'Mo1 As2 Pb1'
_cell_volume   82.14
_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
  Mo  Mo0  1  0.36  0.0  0.36  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.68  0.0  0.79  1.0
  Pb  Pb3  1  0.79  0.1  0.79  1.0

Mo As As Pb