# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47729713
_cell_length_b   2.47729714
_cell_length_c   49.29314481
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni10
_cell_volume   261.983149403
_cell_formula_units_Z   10
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  Ni1  1  0.333797  0.334260  0.353807  1
  Ni  Ni2  1  0.667130  0.667593  0.312163  1
  Ni  Ni3  1  0.333797  0.334260  0.437122  1
  Ni  Ni4  1  0.667130  0.667593  0.395446  1
  Ni  Ni5  1  0.333797  0.334260  0.520480  1
  Ni  Ni6  1  0.667130  0.667593  0.478801  1
  Ni  Ni7  1  0.333797  0.334260  0.603835  1
  Ni  Ni8  1  0.667130  0.667593  0.562159  1
  Ni  Ni9  1  0.333797  0.334260  0.687119  1
  Ni  Ni10  1  0.667130  0.667593  0.645474  1
