# CIF generated by HEAS from Alexandria entry agm006322366
data_agm006322366
_cell_length_a     5.96160
_cell_length_b     5.93577
_cell_length_c     8.86574
_cell_angle_alpha  88.53001
_cell_angle_beta   71.73552
_cell_angle_gamma  120.51490
_cell_volume       250.02741
_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 0.38296 0.68596 0.93065 1.00000
  Ca2 Ca 0.62310 0.29797 0.06996 1.00000
  Fe1 Fe 0.00225 0.99212 0.00076 1.00000
  H1 H 0.71242 0.00035 0.57355 1.00000
  H2 H 0.45923 0.72382 0.57230 1.00000
  H3 H 0.49296 0.77278 0.23299 1.00000
  H4 H 0.96025 0.66969 0.23902 1.00000
  H5 H 0.07888 0.26326 0.23338 1.00000
  H6 H 0.92217 0.72707 0.76406 1.00000
  H7 H 0.03202 0.30815 0.76544 1.00000
  H8 H 0.50430 0.20710 0.76635 1.00000
  H9 H 0.30335 0.24669 0.42809 1.00000
  H10 H 0.27841 0.97090 0.42323 1.00000
  Br1 Br 0.06567 0.48348 0.49563 1.00000
  O1 O 0.59726 0.80749 0.62430 1.00000
  O2 O 0.60129 0.89456 0.12544 1.00000
  O3 O 0.96919 0.67572 0.12728 1.00000
  O4 O 0.19179 0.26893 0.12481 1.00000
  O5 O 0.81440 0.71637 0.87529 1.00000
  O6 O 0.03518 0.30803 0.87500 1.00000
  O7 O 0.40458 0.09104 0.87502 1.00000
  O8 O 0.40826 0.16512 0.37756 1.00000