# generated using pymatgen
data_Nd2NiPBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01012705
_cell_length_b   4.01012720
_cell_length_c   11.12033360
_cell_angle_alpha   89.99994862
_cell_angle_beta   90.00005092
_cell_angle_gamma   120.00010384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2NiPBr2
_chemical_formula_sum   'Nd2 Ni1 P1 Br2'
_cell_volume   154.86892179
_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  1.00000000  0.00000100  0.32612786  1.0
  Nd  Nd1  1  0.00000000  1.00000000  0.67222460  1.0
  Ni  Ni2  1  0.66666600  0.33333300  0.51063636  1.0
  P  P3  1  0.33333300  0.66666700  0.49122050  1.0
  Br  Br4  1  0.66666700  0.33333400  0.15316520  1.0
  Br  Br5  1  0.33333300  0.66666600  0.84662648  1.0