# CIF generated by HEAS from Alexandria entry agm005756459
data_agm005756459
_cell_length_a     10.86408
_cell_length_b     10.86408
_cell_length_c     10.86408
_cell_angle_alpha  118.01199
_cell_angle_beta   111.72945
_cell_angle_gamma  99.21383
_cell_volume       960.44855
_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
  Ca1 Ca 0.50000 0.00000 0.00000 1.00000
  Ca2 Ca 0.50000 0.50000 0.50000 1.00000
  Tl1 Tl 0.09782 0.75000 0.34782 1.00000
  Tl2 Tl 0.90218 0.25000 0.65218 1.00000
  S1 S 0.21195 0.31965 0.89230 1.00000
  S2 S 0.78805 0.68035 0.10770 1.00000
  S3 S 0.92736 0.81965 0.10770 1.00000
  S4 S 0.07264 0.18035 0.89230 1.00000
  S5 S 0.52332 0.85023 0.67309 1.00000
  S6 S 0.47668 0.14977 0.32691 1.00000
  S7 S 0.67715 0.35023 0.32691 1.00000
  S8 S 0.32285 0.64977 0.67309 1.00000
  S9 S 0.69734 0.86154 0.83580 1.00000
  S10 S 0.30266 0.13846 0.16420 1.00000
  S11 S 0.52574 0.36154 0.16420 1.00000
  S12 S 0.47426 0.63846 0.83580 1.00000
  S13 S 0.17660 0.60816 0.08828 1.00000
  S14 S 0.82340 0.91168 0.43156 1.00000
  S15 S 0.01988 0.10816 0.43156 1.00000
  S16 S 0.98012 0.41168 0.08828 1.00000
  S17 S 0.82340 0.39184 0.91172 1.00000
  S18 S 0.17660 0.08832 0.56844 1.00000
  S19 S 0.98012 0.89184 0.56844 1.00000
  S20 S 0.01988 0.58832 0.91172 1.00000
  S21 S 0.78685 0.23334 0.25109 1.00000
  S22 S 0.21315 0.46423 0.44649 1.00000
  S23 S 0.48226 0.73334 0.44649 1.00000
  S24 S 0.51774 0.96423 0.25109 1.00000
  S25 S 0.21315 0.76666 0.74891 1.00000
  S26 S 0.78685 0.53577 0.55351 1.00000
  S27 S 0.51774 0.26666 0.55351 1.00000
  S28 S 0.48226 0.03577 0.74891 1.00000