# generated using pymatgen
data_Nd6PCBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16912169
_cell_length_b   10.16914372
_cell_length_c   10.00338668
_cell_angle_alpha   109.47082826
_cell_angle_beta   109.47070011
_cell_angle_gamma   110.13388810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6PCBr6
_chemical_formula_sum   'Nd12 P2 C2 Br12'
_cell_volume   789.73292048
_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  0.46172072  0.49287215  0.22026343  1.0
  Nd  Nd1  1  0.77261072  0.24145829  0.27973557  1.0
  Nd  Nd2  1  0.77007942  0.02935092  0.49605578  1.0
  Nd  Nd3  1  0.22597636  0.46670586  0.49605578  1.0
  Nd  Nd4  1  0.25854171  0.72739128  0.22026343  1.0
  Nd  Nd5  1  0.03329614  0.27402564  0.00394522  1.0
  Nd  Nd6  1  0.00712685  0.03827828  0.27973657  1.0
  Nd  Nd7  1  0.47064908  0.72991958  0.00394522  1.0
  Nd  Nd8  1  0.48875494  0.23875494  0.47750988  1.0
  Nd  Nd9  1  0.02235694  0.47764206  0.74999900  1.0
  Nd  Nd10  1  0.26124506  0.01124606  0.02249012  1.0
  Nd  Nd11  1  0.22764206  0.27235794  0.75000000  1.0
  P  P12  1  0.24882007  0.25118193  0.25000000  1.0
  P  P13  1  0.50117993  0.99881707  0.24999900  1.0
  C  C14  1  0.00026407  0.25026507  0.50052815  1.0
  C  C15  1  0.24973593  0.49973593  0.99947285  1.0
  Br  Br16  1  0.24643993  0.75709966  0.73839283  1.0
  Br  Br17  1  0.51870783  0.50804810  0.76160817  1.0
  Br  Br18  1  0.98639988  0.74147298  0.99391552  1.0
  Br  Br19  1  0.74289934  0.25355907  0.76160717  1.0
  Br  Br20  1  0.99195190  0.98129217  0.73839283  1.0
  Br  Br21  1  0.24755646  0.99248336  0.50608448  1.0
  Br  Br22  1  0.75852802  0.51360012  0.50608348  1.0
  Br  Br23  1  0.50751564  0.25244354  0.99391552  1.0
  Br  Br24  1  0.75795732  0.74204368  0.25000000  1.0
  Br  Br25  1  0.74231671  0.99231671  0.98463343  1.0
  Br  Br26  1  0.99204268  0.50795632  0.25000000  1.0
  Br  Br27  1  0.50768329  0.75768329  0.51536557  1.0