# generated using pymatgen
data_Nd3P2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18434327
_cell_length_b   4.18434337
_cell_length_c   10.34293571
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3P2Se
_chemical_formula_sum   'Nd3 P2 Se1'
_cell_volume   156.82996569
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.50000000  1.0
  Nd  Nd1  1  0.33333300  0.66666700  0.18414391  1.0
  Nd  Nd2  1  0.66666700  0.33333300  0.81585609  1.0
  P  P3  1  0.33333300  0.66666700  0.66564788  1.0
  P  P4  1  0.66666700  0.33333300  0.33435212  1.0
  Se  Se5  1  0.00000000  0.00000000  0.00000000  1.0