# generated using pymatgen
data_Pr2Ni2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01323836
_cell_length_b   4.01323823
_cell_length_c   8.50393365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2Ni2Br
_chemical_formula_sum   'Pr2 Ni2 Br1'
_cell_volume   118.61521114
_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
  Pr  Pr0  1  0.00000000  0.00000000  0.22029862  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.77970138  1.0
  Ni  Ni2  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni3  1  0.66666700  0.33333300  0.00000000  1.0
  Br  Br4  1  0.66666700  0.33333300  0.50000000  1.0