# generated using pymatgen
data_Sr2Ni2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15641630
_cell_length_b   4.15651852
_cell_length_c   18.13176010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99920207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ni2I
_chemical_formula_sum   'Sr4 Ni4 I2'
_cell_volume   271.28316679
_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
  Sr  Sr0  1  0.00000386  0.00000772  0.10810168  1.0
  Sr  Sr1  1  0.00000386  0.00000772  0.39189832  1.0
  Sr  Sr2  1  0.99999614  0.99999228  0.60810168  1.0
  Sr  Sr3  1  0.99999614  0.99999228  0.89189832  1.0
  Ni  Ni4  1  0.33333237  0.66666374  0.00115106  1.0
  Ni  Ni5  1  0.33333237  0.66666374  0.49884894  1.0
  Ni  Ni6  1  0.66666763  0.33333626  0.50115106  1.0
  Ni  Ni7  1  0.66666763  0.33333626  0.99884894  1.0
  I  I8  1  0.66672639  0.33345079  0.25000000  1.0
  I  I9  1  0.33327361  0.66654821  0.75000000  1.0