# generated using pymatgen
data_Sr3Nd(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67163542
_cell_length_b   6.67163397
_cell_length_c   5.36837220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.52894446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Nd(NiO4)2
_chemical_formula_sum   'Sr3 Nd1 Ni2 O8'
_cell_volume   176.09088618
_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
  Sr  Sr0  1  0.64266556  0.35733444  0.00000000  1.0
  Sr  Sr1  1  0.36049073  0.63950927  0.00000000  1.0
  Sr  Sr2  1  0.85618714  0.14381286  0.50000000  1.0
  Nd  Nd3  1  0.13622893  0.86377107  0.50000000  1.0
  Ni  Ni4  1  0.49648379  0.50351621  0.50000000  1.0
  Ni  Ni5  1  0.99793558  0.00206442  0.00000000  1.0
  O  O6  1  0.84398179  0.15601821  0.00000000  1.0
  O  O7  1  0.33474478  0.66525522  0.50000000  1.0
  O  O8  1  0.65447170  0.34552830  0.50000000  1.0
  O  O9  1  0.15808006  0.84191994  0.00000000  1.0
  O  O10  1  0.76045341  0.75108794  0.74366546  1.0
  O  O11  1  0.24891206  0.23954659  0.25633454  1.0
  O  O12  1  0.24891206  0.23954659  0.74366546  1.0
  O  O13  1  0.76045341  0.75108794  0.25633454  1.0