# CIF generated by HEAS from Alexandria entry agm005017694
data_agm005017694
_cell_length_a     3.46174
_cell_length_b     3.46174
_cell_length_c     6.96357
_cell_angle_alpha  104.39236
_cell_angle_beta   104.39236
_cell_angle_gamma  90.00000
_cell_volume       78.12337
_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 0.66196 0.66196 0.32393 1.00000
  Sc2 Sc 0.33804 0.33804 0.67607 1.00000
  Tl1 Tl 0.00000 0.00000 0.00000 1.00000
  H1 H 0.75000 0.25000 0.50000 1.00000
  O1 O 0.25000 0.75000 0.50000 1.00000