[CIF]
data_Ca2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59857887
_cell_length_b   6.59857887
_cell_length_c   6.59857887
_cell_angle_alpha   60.27208090
_cell_angle_beta   60.27208090
_cell_angle_gamma   60.27208090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni3
_chemical_formula_sum   'Ca4 Ni6'
_cell_volume   204.41015116
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  -0.00000000  -0.00000000  14.53523880  1
  Ca  Ca1  1  0.00000000  -0.00000000  9.65951520  1
  Ca  Ca2  1  0.00000000  -0.00000000  6.47032080  1
  Ca  Ca3  1  0.00000000  0.00000000  1.59459720  1
  Ni  Ni4  1  -1.36592823  -0.00000000  4.03245900  1
  Ni  Ni5  1  0.68296412  -1.18292855  4.03245900  1
  Ni  Ni6  1  0.68296412  1.18292855  4.03245900  1
  Ni  Ni7  1  -0.68296412  -1.18292855  12.09737700  1
  Ni  Ni8  1  -0.68296412  1.18292855  12.09737700  1
  Ni  Ni9  1  1.36592823  0.00000000  12.09737700  1
[/CIF]
