# generated using pymatgen
data_Ca2AlNiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19570598
_cell_length_b   8.19570598
_cell_length_c   8.19570598
_cell_angle_alpha   142.69150382
_cell_angle_beta   139.65569235
_cell_angle_gamma   56.11336088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlNiO5
_chemical_formula_sum   'Ca4 Al2 Ni2 O10'
_cell_volume   214.33877073
_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  0.35677000  0.88323300  0.45897100  1.0
  Ca  Ca1  1  0.07573800  0.60220100  0.45897100  1.0
  Ca  Ca2  1  0.64323000  0.10220100  0.52646400  1.0
  Ca  Ca3  1  0.92426200  0.38323300  0.52646400  1.0
  Al  Al4  1  0.67189200  0.71008800  0.88198000  1.0
  Al  Al5  1  0.32810800  0.21008800  0.03819600  1.0
  Ni  Ni6  1  0.50000000  0.50557800  0.00557800  1.0
  Ni  Ni7  1  0.00000000  0.00557800  0.00557800  1.0
  O  O8  1  0.60706900  0.37336000  0.48042900  1.0
  O  O9  1  0.39293100  0.87336000  0.76629200  1.0
  O  O10  1  0.28062900  0.38427200  0.95918900  1.0
  O  O11  1  0.71937100  0.67855900  0.10364300  1.0
  O  O12  1  0.92508300  0.88427200  0.10364300  1.0
  O  O13  1  0.07491700  0.17855900  0.95918900  1.0
  O  O14  1  0.26149500  0.76721900  0.99368100  1.0
  O  O15  1  0.73850500  0.73218600  0.50572400  1.0
  O  O16  1  0.72646100  0.23218600  0.99368100  1.0
  O  O17  1  0.27353900  0.26721900  0.50572400  1.0