[CIF]
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77415342
_cell_length_b   2.77415342
_cell_length_c   8.20534612
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr1 Ni3'
_cell_volume   54.68755235
_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
  Ni  Ni0  1  1.38707671  0.80082911  6.33990515  1
  Ni  Ni1  1  1.38707671  0.80082911  1.86544097  1
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr3  1  0.00000000  0.00000000  4.10267306  1
[/CIF]
