# CIF generated by HEAS from Alexandria entry agm005836699
data_agm005836699
_cell_length_a     6.31311
_cell_length_b     6.31311
_cell_length_c     11.42945
_cell_angle_alpha  100.69381
_cell_angle_beta   100.69381
_cell_angle_gamma  109.15419
_cell_volume       407.65868
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Sc1 Sc 0.16135 0.68690 0.82351 1.00000
  Sc2 Sc 0.66216 0.13661 0.82351 1.00000
  Sc3 Sc 0.08865 0.06310 0.67649 1.00000
  Sc4 Sc 0.58784 0.61339 0.67649 1.00000
  Sc5 Sc 0.02679 0.52679 0.50000 1.00000
  Sc6 Sc 0.47321 0.97321 0.50000 1.00000
  Sc7 Sc 0.38661 0.41216 0.32351 1.00000
  Sc8 Sc 0.93690 0.91135 0.32351 1.00000
  Sc9 Sc 0.86339 0.33784 0.17649 1.00000
  Sc10 Sc 0.31310 0.83865 0.17649 1.00000
  Sc11 Sc 0.22321 0.22321 0.00000 1.00000
  Sc12 Sc 0.77679 0.77679 1.00000 1.00000
  B1 B 0.91636 0.91636 0.83272 1.00000
  B2 B 0.33364 0.83364 0.66728 1.00000
  B3 B 0.16636 0.66636 0.33272 1.00000
  B4 B 0.08364 0.08364 0.16728 1.00000
  S1 S 0.99705 0.49705 0.99410 1.00000
  S2 S 0.41939 0.41939 0.83879 1.00000
  S3 S 0.83061 0.33061 0.66121 1.00000
  S4 S 0.25295 0.25295 0.50590 1.00000
  S5 S 0.74705 0.74705 0.49410 1.00000
  S6 S 0.66939 0.16939 0.33879 1.00000
  S7 S 0.58061 0.58061 0.16121 1.00000
  S8 S 0.50295 0.00295 0.00590 1.00000