# generated using pymatgen
data_Nd3Lu2In3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37470576
_cell_length_b   9.37470580
_cell_length_c   6.69523138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00110680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Lu2In3Br
_chemical_formula_sum   'Nd6 Lu4 In6 Br2'
_cell_volume   509.57330861
_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  0.73189649  0.73189649  0.25000000  1.0
  Nd  Nd1  1  0.00002674  0.73187721  0.75000000  1.0
  Nd  Nd2  1  0.73187721  0.00002674  0.75000000  1.0
  Nd  Nd3  1  0.26810351  0.26810351  0.75000000  1.0
  Nd  Nd4  1  0.99997326  0.26812279  0.25000000  1.0
  Nd  Nd5  1  0.26812279  0.99997326  0.25000000  1.0
  Lu  Lu6  1  0.33330090  0.66669910  0.50000000  1.0
  Lu  Lu7  1  0.66669910  0.33330090  0.50000000  1.0
  Lu  Lu8  1  0.33330090  0.66669910  0.00000000  1.0
  Lu  Lu9  1  0.66669910  0.33330090  0.00000000  1.0
  In  In10  1  0.39522280  0.99998653  0.75000000  1.0
  In  In11  1  0.00001347  0.60477720  0.25000000  1.0
  In  In12  1  0.60477720  0.00001347  0.25000000  1.0
  In  In13  1  0.99998653  0.39522280  0.75000000  1.0
  In  In14  1  0.39522069  0.39522069  0.25000000  1.0
  In  In15  1  0.60477931  0.60477931  0.75000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.00000000  1.0