# generated using pymatgen
data_Nd2NiRuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10476139
_cell_length_b   4.10476172
_cell_length_c   8.40961967
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2NiRuBr
_chemical_formula_sum   'Nd2 Ni1 Ru1 Br1'
_cell_volume   122.71082222
_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  0.22051923  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.77948077  1.0
  Ni  Ni2  1  0.66666700  0.33333300  0.00000000  1.0
  Ru  Ru3  1  0.33333300  0.66666700  0.00000000  1.0
  Br  Br4  1  0.66666700  0.33333300  0.50000000  1.0