[CIF]
data_P4PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81082026
_cell_length_b   5.81082026
_cell_length_c   5.81082026
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4PbSe
_chemical_formula_sum   'P4 Pb1 Se1'
_cell_volume   138.73860658
_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
  P  P0  1  5.37947169  5.37947169  2.83826913  1
  P  P1  1  5.37947169  2.83826913  5.37947169  1
  P  P2  1  2.83826913  5.37947169  5.37947169  1
  P  P3  1  2.83826913  2.83826913  2.83826913  1
  Pb  Pb4  1  6.16330562  6.16330562  6.16330562  1
  Se  Se5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
