# CIF generated by HEAS from Alexandria entry agm005279552
data_agm005279552
_cell_length_a     5.14714
_cell_length_b     5.70054
_cell_length_c     8.99337
_cell_angle_alpha  81.79058
_cell_angle_beta   92.61880
_cell_angle_gamma  90.30521
_cell_volume       260.90188
_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 0.48326 0.85226 0.94365 1.00000
  Sc1 Sc 0.00192 0.06068 0.28325 1.00000
  Sc2 Sc 0.47383 0.58275 0.30514 1.00000
  Sc3 Sc 0.51374 0.31359 0.69532 1.00000
  Sc4 Sc 0.99625 0.79941 0.67931 1.00000
  Fe1 Fe 0.00628 0.41447 0.97781 1.00000
  Fe2 Fe 0.98676 0.42354 0.48790 1.00000
  Fe3 Fe 0.52136 0.23948 0.11849 1.00000
  Fe4 Fe 0.48993 0.94897 0.49214 1.00000
  O1 O 0.15746 0.45786 0.68739 1.00000
  O2 O 0.17420 0.76233 0.41796 1.00000
  O3 O 0.14925 0.10090 0.08578 1.00000
  O4 O 0.29278 0.25645 0.41163 1.00000
  O5 O 0.32863 0.55448 0.10326 1.00000
  O6 O 0.35274 0.96577 0.69474 1.00000
  O7 O 0.62590 0.92856 0.27234 1.00000
  O8 O 0.88166 0.72842 0.88070 1.00000
  O9 O 0.67849 0.61466 0.55114 1.00000
  O10 O 0.63975 0.25170 0.90770 1.00000
  O11 O 0.80036 0.11476 0.56946 1.00000
  O12 O 0.80796 0.39148 0.28492 1.00000