# generated using pymatgen
data_Ca2TaNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45744667
_cell_length_b   5.63265054
_cell_length_c   7.72914400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.32882730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TaNiO6
_chemical_formula_sum   'Ca4 Ta2 Ni2 O12'
_cell_volume   237.49197830
_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  0.02358200  0.95700300  0.25000000  1.0
  Ca  Ca1  1  0.49096600  0.43282800  0.25000000  1.0
  Ca  Ca2  1  0.50903400  0.56717200  0.75000000  1.0
  Ca  Ca3  1  0.97641800  0.04299700  0.75000000  1.0
  Ta  Ta4  1  0.00000000  0.50000000  0.00000000  1.0
  Ta  Ta5  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni6  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.79627800  0.79152800  0.54711300  1.0
  O  O9  1  0.28778900  0.69839400  0.45576300  1.0
  O  O10  1  0.20372200  0.20847200  0.45288700  1.0
  O  O11  1  0.71221100  0.30160600  0.95576300  1.0
  O  O12  1  0.09014900  0.47406600  0.75000000  1.0
  O  O13  1  0.71221100  0.30160600  0.54423700  1.0
  O  O14  1  0.28778900  0.69839400  0.04423700  1.0
  O  O15  1  0.79627800  0.79152800  0.95288700  1.0
  O  O16  1  0.59618000  0.02616500  0.25000000  1.0
  O  O17  1  0.20372200  0.20847200  0.04711300  1.0
  O  O18  1  0.40382000  0.97383500  0.75000000  1.0
  O  O19  1  0.90985100  0.52593400  0.25000000  1.0