# generated using pymatgen
data_Nd2Ni2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98941729
_cell_length_b   3.98941826
_cell_length_c   16.83310322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Ni2Br
_chemical_formula_sum   'Nd4 Ni4 Br2'
_cell_volume   232.01382051
_cell_formula_units_Z   2
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  0.61001494  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.38998506  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.11001494  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.88998506  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.50042550  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.00042550  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.99957450  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.49957450  1.0
  Br  Br8  1  0.66666700  0.33333300  0.25000000  1.0
  Br  Br9  1  0.33333300  0.66666700  0.75000000  1.0