# generated using pymatgen
data_Nd12Ga(RuBr4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48819774
_cell_length_b   10.48819941
_cell_length_c   10.21172462
_cell_angle_alpha   108.93809717
_cell_angle_beta   108.93810029
_cell_angle_gamma   109.99903841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Ga(RuBr4)3
_chemical_formula_sum   'Nd12 Ga1 Ru3 Br12'
_cell_volume   870.35058190
_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  0.25885863  0.73327334  0.22958138  1.0
  Nd  Nd1  1  0.47441370  0.73327334  0.00369096  1.0
  Nd  Nd2  1  0.23578787  0.47157574  0.48578787  1.0
  Nd  Nd3  1  0.01517584  0.03035167  0.26517584  1.0
  Nd  Nd4  1  0.23578787  0.26421213  0.75000000  1.0
  Nd  Nd5  1  0.01517584  0.48482416  0.75000000  1.0
  Nd  Nd6  1  0.47441370  0.24114137  0.47072275  1.0
  Nd  Nd7  1  0.25885863  0.02558630  0.02927725  1.0
  Nd  Nd8  1  0.76672666  0.24114137  0.27041862  1.0
  Nd  Nd9  1  0.76672666  0.02558630  0.49630904  1.0
  Nd  Nd10  1  0.46964833  0.48482416  0.23482416  1.0
  Nd  Nd11  1  0.02842426  0.26421213  0.01421213  1.0
  Ga  Ga12  1  0.50000000  0.00000000  0.25000000  1.0
  Ru  Ru13  1  0.24857718  0.49715335  0.99857718  1.0
  Ru  Ru14  1  0.00284665  0.25142282  0.50142282  1.0
  Ru  Ru15  1  0.24857718  0.25142282  0.25000000  1.0
  Br  Br16  1  0.24899206  0.99026715  0.50199888  1.0
  Br  Br17  1  0.51675146  0.50837573  0.75837573  1.0
  Br  Br18  1  0.24899206  0.75872490  0.74699418  1.0
  Br  Br19  1  0.99510759  0.74755379  0.99755379  1.0
  Br  Br20  1  0.99162427  0.50837573  0.25000000  1.0
  Br  Br21  1  0.74127510  0.99026715  0.98826927  1.0
  Br  Br22  1  0.75244621  0.74755379  0.25000000  1.0
  Br  Br23  1  0.50973285  0.75872490  0.51173073  1.0
  Br  Br24  1  0.50973285  0.25100794  0.99800112  1.0
  Br  Br25  1  0.75244621  0.50489241  0.50244621  1.0
  Br  Br26  1  0.74127510  0.25100794  0.75300582  1.0
  Br  Br27  1  0.99162427  0.98324854  0.74162427  1.0