# generated using pymatgen
data_CaNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97714028
_cell_length_b   4.97714028
_cell_length_c   8.49766388
_cell_angle_alpha   72.97113633
_cell_angle_beta   72.97113633
_cell_angle_gamma   59.99999630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi3
_chemical_formula_sum   'Ca3 Ni9'
_cell_volume   171.56187614
_cell_formula_units_Z   3
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  0.14030500  0.14030500  0.57908400  1.0
  Ca  Ca1  1  0.85969500  0.85969500  0.42091600  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.08265500  0.58020000  0.75694600  1.0
  Ni  Ni4  1  0.58020000  0.58020000  0.75694600  1.0
  Ni  Ni5  1  0.58020000  0.08265500  0.75694600  1.0
  Ni  Ni6  1  0.91734500  0.41980000  0.24305400  1.0
  Ni  Ni7  1  0.41980000  0.41980000  0.24305400  1.0
  Ni  Ni8  1  0.41980000  0.91734500  0.24305400  1.0
  Ni  Ni9  1  0.33253300  0.33253300  0.00240000  1.0
  Ni  Ni10  1  0.66746700  0.66746700  0.99760000  1.0
  Ni  Ni11  1  0.50000000  0.50000000  0.50000000  1.0