# CIF generated by HEAS from Alexandria entry agm005681981
data_agm005681981
_cell_length_a     3.47346
_cell_length_b     3.47346
_cell_length_c     13.36809
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       139.67722
_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 0.66667 0.33333 0.89636 1.00000
  Ca2 Ca 0.33333 0.66667 0.10364 1.00000
  Ca3 Ca 1.00000 1.00000 0.68823 1.00000
  Ca4 Ca 0.00000 0.00000 0.31177 1.00000
  H1 H 0.33333 0.66667 0.47416 1.00000
  H2 H 0.66667 0.33333 0.52584 1.00000
  O1 O 0.66667 0.33333 0.20740 1.00000
  O2 O 0.33333 0.66667 0.79260 1.00000
  O3 O 0.66667 0.33333 0.59863 1.00000
  O4 O 0.33333 0.66667 0.40137 1.00000
  O5 O 0.00000 0.00000 0.00000 1.00000