# CIF generated by HEAS from Alexandria entry agm004579062
data_agm004579062
_cell_length_a     5.18988
_cell_length_b     5.18988
_cell_length_c     5.61455
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       130.96648
_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 0.70026 1.00000
  Ca2 Ca 0.33333 0.66667 0.29974 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
  B1 B 0.33333 0.66667 0.78897 1.00000
  B2 B 0.66667 0.33333 0.21103 1.00000
  O1 O 0.11406 0.37057 0.77810 1.00000
  O2 O 0.62943 0.74348 0.77810 1.00000
  O3 O 0.25652 0.88594 0.77810 1.00000
  O4 O 0.88594 0.62943 0.22190 1.00000
  O5 O 0.37057 0.25652 0.22190 1.00000
  O6 O 0.74348 0.11406 0.22190 1.00000