# generated using pymatgen
data_Nd12Si3PBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35925530
_cell_length_b   10.35264778
_cell_length_c   10.35264822
_cell_angle_alpha   109.45828913
_cell_angle_beta   109.48415634
_cell_angle_gamma   109.48414565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Si3PBr12
_chemical_formula_sum   'Nd12 Si3 P1 Br12'
_cell_volume   854.55535831
_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  0.47473148  0.48939101  0.23638406  1.0
  Nd  Nd1  1  0.75000000  0.23958798  0.26041202  1.0
  Nd  Nd2  1  0.75000000  0.01039238  0.48960762  1.0
  Nd  Nd3  1  0.23960762  0.47921324  0.48960762  1.0
  Nd  Nd4  1  0.26165058  0.74699206  0.23638406  1.0
  Nd  Nd5  1  0.02526852  0.26361594  0.01060899  1.0
  Nd  Nd6  1  0.01041202  0.02082604  0.26041202  1.0
  Nd  Nd7  1  0.48534147  0.74699206  0.01060899  1.0
  Nd  Nd8  1  0.48958798  0.23958798  0.47917396  1.0
  Nd  Nd9  1  0.01465853  0.48939101  0.75300794  1.0
  Nd  Nd10  1  0.26039238  0.01039238  0.02078676  1.0
  Nd  Nd11  1  0.23834942  0.26361594  0.75300794  1.0
  Si  Si12  1  0.25000000  0.25010423  0.24989577  1.0
  Si  Si13  1  0.49989577  0.99979155  0.24989577  1.0
  Si  Si14  1  0.00010423  0.25010423  0.50020845  1.0
  P  P15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75508001  0.74491999  1.0
  Br  Br17  1  0.51092425  0.50595437  0.75678893  1.0
  Br  Br18  1  0.98907575  0.74321107  0.99404563  1.0
  Br  Br19  1  0.74586368  0.25083456  0.75678893  1.0
  Br  Br20  1  0.99491999  0.98984098  0.74491999  1.0
  Br  Br21  1  0.25000000  0.99456518  0.50543482  1.0
  Br  Br22  1  0.75543482  0.51086864  0.50543482  1.0
  Br  Br23  1  0.50497088  0.25083456  0.99404563  1.0
  Br  Br24  1  0.75413632  0.74321107  0.24916544  1.0
  Br  Br25  1  0.74456518  0.99456518  0.98913136  1.0
  Br  Br26  1  0.99502912  0.50595437  0.24916544  1.0
  Br  Br27  1  0.50508001  0.75508001  0.51015902  1.0