# generated using pymatgen
data_Ca4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03696436
_cell_length_b   8.03696436
_cell_length_c   8.03696436
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Ni
_chemical_formula_sum   'Ca8 Ni2'
_cell_volume   367.08034374
_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  0.37958500  0.37958500  0.37958500  1.0
  Ca  Ca1  1  0.37958500  0.37958500  0.86124500  1.0
  Ca  Ca2  1  0.37958500  0.86124500  0.37958500  1.0
  Ca  Ca3  1  0.87041500  0.87041500  0.38875500  1.0
  Ca  Ca4  1  0.87041500  0.87041500  0.87041500  1.0
  Ca  Ca5  1  0.86124500  0.37958500  0.37958500  1.0
  Ca  Ca6  1  0.87041500  0.38875500  0.87041500  1.0
  Ca  Ca7  1  0.38875500  0.87041500  0.87041500  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni9  1  0.25000000  0.25000000  0.25000000  1.0