# CIF generated by HEAS from Alexandria entry agm002017331
data_agm002017331
_cell_length_a     3.51026
_cell_length_b     3.51026
_cell_length_c     18.71819
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       199.74404
_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
  Zr1 Zr 0.00000 0.00000 0.54387 1.00000
  Zr2 Zr 0.33333 0.66667 0.21054 1.00000
  Zr3 Zr 0.66667 0.33333 0.87720 1.00000
  Sc1 Sc 0.00000 0.00000 0.74453 1.00000
  Sc2 Sc 0.33333 0.66667 0.41119 1.00000
  Sc3 Sc 0.66667 0.33333 0.07786 1.00000
  Se1 Se 0.00000 0.00000 0.30940 1.00000
  Se2 Se 0.33333 0.66667 0.97606 1.00000
  Se3 Se 0.66667 0.33333 0.64273 1.00000