# CIF generated by HEAS from Alexandria entry agm005100694
data_agm005100694
_cell_length_a     4.79471
_cell_length_b     5.09475
_cell_length_c     5.09475
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       107.78014
_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 0.50000 0.00000 0.00000 1.00000
  Pa1 Pa 0.00000 0.33333 0.66667 1.00000
  Ni1 Ni 0.50000 0.66667 0.33333 1.00000
  O1 O 0.72900 0.66506 0.63790 1.00000
  O2 O 0.72900 0.36210 0.02716 1.00000
  O3 O 0.72900 0.97284 0.33494 1.00000
  O4 O 0.27100 0.36210 0.33494 1.00000
  O5 O 0.27100 0.66506 0.02716 1.00000
  O6 O 0.27100 0.97284 0.63790 1.00000