# generated using pymatgen
data_Al2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75274380
_cell_length_b   5.88877329
_cell_length_c   8.04901706
_cell_angle_alpha   89.98387882
_cell_angle_beta   89.99767704
_cell_angle_gamma   90.00761612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiO4
_chemical_formula_sum   'Al8 Ni4 O16'
_cell_volume   272.67335025
_cell_formula_units_Z   4
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
  Al  Al0  1  0.50000700  0.00038100  0.49994900  1.0
  Al  Al1  1  0.00005100  0.49959500  0.00002900  1.0
  Al  Al2  1  0.25001100  0.74961200  0.74985600  1.0
  Al  Al3  1  0.74999300  0.25044400  0.25011300  1.0
  Al  Al4  1  0.99997500  0.00038500  0.49999200  1.0
  Al  Al5  1  0.50004600  0.49960400  0.00001900  1.0
  Al  Al6  1  0.25001600  0.24960000  0.75018500  1.0
  Al  Al7  1  0.74999300  0.75042800  0.24988400  1.0
  Ni  Ni8  1  0.24992600  0.50023300  0.38182500  1.0
  Ni  Ni9  1  0.24963300  0.99898500  0.11825800  1.0
  Ni  Ni10  1  0.75007500  0.99958200  0.88157800  1.0
  Ni  Ni11  1  0.75016400  0.50086100  0.61829700  1.0
  O  O12  1  0.25000300  0.21598600  0.51226400  1.0
  O  O13  1  0.75008000  0.71562600  0.01203000  1.0
  O  O14  1  0.74997300  0.78484800  0.48760900  1.0
  O  O15  1  0.25001100  0.28360300  0.98806700  1.0
  O  O16  1  0.02857200  0.99954200  0.73943200  1.0
  O  O17  1  0.52850200  0.50037100  0.23948100  1.0
  O  O18  1  0.97143600  0.00052500  0.26057800  1.0
  O  O19  1  0.47144800  0.49960600  0.76056400  1.0
  O  O20  1  0.47139600  0.99956200  0.73941100  1.0
  O  O21  1  0.97151200  0.50038900  0.23946300  1.0
  O  O22  1  0.24994100  0.78452100  0.51209100  1.0
  O  O23  1  0.75001700  0.28402100  0.01223100  1.0
  O  O24  1  0.75003900  0.21644500  0.48809800  1.0
  O  O25  1  0.25006400  0.71515600  0.98759100  1.0
  O  O26  1  0.52851500  0.00050600  0.26052500  1.0
  O  O27  1  0.02860500  0.49958300  0.76058300  1.0