# CIF generated by HEAS from Alexandria entry agm004635646
data_agm004635646
_cell_length_a     6.31105
_cell_length_b     6.31105
_cell_length_c     7.86643
_cell_angle_alpha  97.65659
_cell_angle_beta   97.65659
_cell_angle_gamma  120.02134
_cell_volume       261.46536
_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 0.93343 0.58968 0.79921 1.00000
  Sc2 Sc 0.72145 0.72145 0.19856 1.00000
  Sc3 Sc 0.06657 0.41032 0.20079 1.00000
  Sc4 Sc 0.58968 0.93343 0.79921 1.00000
  Sc5 Sc 0.27855 0.27855 0.80144 1.00000
  Sc6 Sc 0.41032 0.06657 0.20079 1.00000
  Tl1 Tl 0.16185 0.83815 0.50000 1.00000
  Tl2 Tl 0.83815 0.16185 0.50000 1.00000
  Tl3 Tl 0.50000 0.50000 0.50000 1.00000
  Se1 Se 0.00000 0.00000 0.00000 1.00000
  S1 S 0.33278 0.66722 0.00000 1.00000
  S2 S 0.66722 0.33278 0.00000 1.00000