# CIF generated by HEAS from Alexandria entry agm020021218
data_agm020021218
_cell_length_a     10.22997
_cell_length_b     10.22997
_cell_length_c     13.73949
_cell_angle_alpha  85.72696
_cell_angle_beta   94.27304
_cell_angle_gamma  81.57173
_cell_volume       1413.05670
_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 0.12036 0.12036 0.25000 1.00000
  Sc2 Sc 0.00000 0.00000 0.00000 1.00000
  Sc3 Sc 0.87964 0.87964 0.75000 1.00000
  Sc4 Sc 0.00000 0.00000 0.50000 1.00000
  Nb1 Nb 0.44549 0.16774 0.39629 1.00000
  Nb2 Nb 0.09143 0.36540 0.90137 1.00000
  Nb3 Nb 0.33734 0.93097 0.44181 1.00000
  Nb4 Nb 0.83226 0.55451 0.89629 1.00000
  Nb5 Nb 0.06903 0.66266 0.94181 1.00000
  Nb6 Nb 0.93097 0.33734 0.05819 1.00000
  Nb7 Nb 0.55451 0.83226 0.60371 1.00000
  Nb8 Nb 0.90857 0.63460 0.09863 1.00000
  Nb9 Nb 0.16774 0.44549 0.10371 1.00000
  Nb10 Nb 0.63460 0.90857 0.40137 1.00000
  Nb11 Nb 0.66266 0.06903 0.55819 1.00000
  Nb12 Nb 0.36540 0.09143 0.59863 1.00000
  Br1 Br 0.31902 0.28905 0.00184 1.00000
  Br2 Br 0.61874 0.61874 0.75000 1.00000
  Br3 Br 0.41639 0.91188 0.74355 1.00000
  Br4 Br 0.63700 0.30067 0.45225 1.00000
  Br5 Br 0.12700 0.90289 0.85307 1.00000
  Br6 Br 0.30067 0.63700 0.04775 1.00000
  Br7 Br 0.54775 0.21106 0.69050 1.00000
  Br8 Br 0.38126 0.38126 0.25000 1.00000
  Br9 Br 0.21106 0.54775 0.80950 1.00000
  Br10 Br 0.97719 0.22558 0.38706 1.00000
  Br11 Br 0.36300 0.69933 0.54775 1.00000
  Br12 Br 0.78894 0.45225 0.19050 1.00000
  Br13 Br 0.20816 0.20816 0.75000 1.00000
  Br14 Br 0.22558 0.97719 0.11294 1.00000
  Br15 Br 0.28905 0.31902 0.49816 1.00000
  Br16 Br 0.09711 0.87300 0.35307 1.00000
  Br17 Br 0.02281 0.77442 0.61294 1.00000
  Br18 Br 0.71095 0.68098 0.50184 1.00000
  Br19 Br 0.91188 0.41639 0.75645 1.00000
  Br20 Br 0.58361 0.08812 0.25645 1.00000
  Br21 Br 0.08812 0.58361 0.24355 1.00000
  Br22 Br 0.90289 0.12700 0.64693 1.00000
  Br23 Br 0.45225 0.78894 0.30950 1.00000
  Br24 Br 0.87300 0.09711 0.14693 1.00000
  Br25 Br 0.69933 0.36300 0.95225 1.00000
  Br26 Br 0.77442 0.02281 0.88706 1.00000
  Br27 Br 0.68098 0.71095 0.99816 1.00000
  Br28 Br 0.79184 0.79184 0.25000 1.00000
  O1 O 0.79258 0.98315 0.46464 1.00000
  O2 O 0.01685 0.20742 0.96464 1.00000
  O3 O 0.90863 0.71178 0.83793 1.00000
  O4 O 0.71178 0.90863 0.66207 1.00000
  O5 O 0.28822 0.09137 0.33793 1.00000
  O6 O 0.98315 0.79258 0.03536 1.00000
  O7 O 0.09137 0.28822 0.16207 1.00000
  O8 O 0.20742 0.01685 0.53536 1.00000