# generated using pymatgen
data_Nd6CoRuBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33333045
_cell_length_b   10.33333097
_cell_length_c   10.28383803
_cell_angle_alpha   109.92875273
_cell_angle_beta   109.92875361
_cell_angle_gamma   108.75744198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6CoRuBr6
_chemical_formula_sum   'Nd12 Co2 Ru2 Br12'
_cell_volume   843.11194191
_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  0.46638008  0.48671165  0.22762284  1.0
  Nd  Nd1  1  0.75908981  0.23875824  0.27237716  1.0
  Nd  Nd2  1  0.74814845  0.01359416  0.48332788  1.0
  Nd  Nd3  1  0.23517943  0.46973272  0.48332788  1.0
  Nd  Nd4  1  0.26124176  0.74091019  0.22762284  1.0
  Nd  Nd5  1  0.03026728  0.26482057  0.01667212  1.0
  Nd  Nd6  1  0.01328835  0.03361992  0.27237716  1.0
  Nd  Nd7  1  0.48640584  0.75185155  0.01667212  1.0
  Nd  Nd8  1  0.48369101  0.23369101  0.46738201  1.0
  Nd  Nd9  1  0.01978930  0.48021070  0.75000000  1.0
  Nd  Nd10  1  0.26630899  0.01630899  0.03261799  1.0
  Nd  Nd11  1  0.23021070  0.26978930  0.75000000  1.0
  Co  Co12  1  0.00042031  0.25042031  0.50084161  1.0
  Co  Co13  1  0.24957969  0.49957969  0.99915839  1.0
  Ru  Ru14  1  0.24759604  0.25240396  0.25000000  1.0
  Ru  Ru15  1  0.50240396  0.99759604  0.25000000  1.0
  Br  Br16  1  0.24927852  0.75616420  0.74284574  1.0
  Br  Br17  1  0.51331946  0.50643378  0.75715426  1.0
  Br  Br18  1  0.98654068  0.74301923  0.99147114  1.0
  Br  Br19  1  0.74383580  0.25072148  0.75715426  1.0
  Br  Br20  1  0.99356622  0.98668054  0.74284574  1.0
  Br  Br21  1  0.25154809  0.99506854  0.50852886  1.0
  Br  Br22  1  0.75698077  0.51345932  0.50852886  1.0
  Br  Br23  1  0.50493146  0.24845191  0.99147114  1.0
  Br  Br24  1  0.75851490  0.74148510  0.25000000  1.0
  Br  Br25  1  0.74210168  0.99210168  0.98420337  1.0
  Br  Br26  1  0.99148510  0.50851490  0.25000000  1.0
  Br  Br27  1  0.50789832  0.75789832  0.51579663  1.0