[CIF]
data_Ca2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24796665
_cell_length_b   3.24796665
_cell_length_c   7.72227085
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NiRu
_chemical_formula_sum   'Ca2 Ni1 Ru1'
_cell_volume   81.46445426
_cell_formula_units_Z   1
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  1.62398332  1.62398332  5.83766254  1
  Ca  Ca1  1  1.62398332  1.62398332  1.88460831  1
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru3  1  0.00000000  0.00000000  3.86113543  1
[/CIF]
