# generated using pymatgen
data_Ni3(PbSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71269919
_cell_length_b   5.71269919
_cell_length_c   5.85983309
_cell_angle_alpha   60.82717824
_cell_angle_beta   60.82717824
_cell_angle_gamma   60.00000938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3(PbSe)2
_chemical_formula_sum   'Ni3 Pb2 Se2'
_cell_volume   136.88984003
_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
  Ni  Ni0  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.50000000  0.00000000  0.50000000  1.0
  Pb  Pb3  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb4  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se5  1  0.72263800  0.72263800  0.83208600  1.0
  Se  Se6  1  0.27736200  0.27736200  0.16791400  1.0