# generated using pymatgen
data_CaLaFeNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47442700
_cell_length_b   5.45876178
_cell_length_c   7.71170041
_cell_angle_alpha   89.83936874
_cell_angle_beta   89.99990084
_cell_angle_gamma   89.99750548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaFeNiO6
_chemical_formula_sum   'Ca2 La2 Fe2 Ni2 O12'
_cell_volume   230.45240975
_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  0.54104400  0.50915000  0.24969500  1.0
  Ca  Ca1  1  0.95896600  0.00913400  0.74972400  1.0
  La  La2  1  0.02891500  0.99418000  0.25023300  1.0
  La  La3  1  0.47107800  0.49419600  0.75027200  1.0
  Fe  Fe4  1  0.50040300  0.99968800  0.00038800  1.0
  Fe  Fe5  1  0.99958500  0.49970600  0.50047400  1.0
  Ni  Ni6  1  0.49838200  0.99993200  0.49930800  1.0
  Ni  Ni7  1  0.00156800  0.49991900  0.99935200  1.0
  O  O8  1  0.01330200  0.57787900  0.74499300  1.0
  O  O9  1  0.22056400  0.20812400  0.95816700  1.0
  O  O10  1  0.20953000  0.22067400  0.54098200  1.0
  O  O11  1  0.29047900  0.72068000  0.04097400  1.0
  O  O12  1  0.27942700  0.70815900  0.45814700  1.0
  O  O13  1  0.48671000  0.07793300  0.24495100  1.0
  O  O14  1  0.51681900  0.93148000  0.75482300  1.0
  O  O15  1  0.72405300  0.28512900  0.53761800  1.0
  O  O16  1  0.71658000  0.27367000  0.96372500  1.0
  O  O17  1  0.78343100  0.77367800  0.46371800  1.0
  O  O18  1  0.77596300  0.78519600  0.03760000  1.0
  O  O19  1  0.98320400  0.43149300  0.25485000  1.0