# generated using pymatgen
data_CaLa(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52087100
_cell_length_b   5.52313000
_cell_length_c   7.81248600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa(FeO3)2
_chemical_formula_sum   'Ca2 La2 Fe4 O12'
_cell_volume   238.22213753
_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  0.49043600  0.21357400  0.00000000  1.0
  Ca  Ca1  1  0.99043600  0.78642600  0.50000000  1.0
  La  La2  1  0.00628200  0.72230400  0.00000000  1.0
  La  La3  1  0.50628200  0.27769600  0.50000000  1.0
  Fe  Fe4  1  0.00038400  0.24988500  0.24924700  1.0
  Fe  Fe5  1  0.50038400  0.75011500  0.74924700  1.0
  Fe  Fe6  1  0.00038400  0.24988500  0.75075300  1.0
  Fe  Fe7  1  0.50038400  0.75011500  0.25075300  1.0
  O  O8  1  0.42087800  0.73642400  0.50000000  1.0
  O  O9  1  0.78307900  0.53267400  0.70810000  1.0
  O  O10  1  0.78307900  0.53267400  0.29190000  1.0
  O  O11  1  0.28307900  0.46732600  0.79190000  1.0
  O  O12  1  0.28307900  0.46732600  0.20810000  1.0
  O  O13  1  0.92087800  0.26357600  0.00000000  1.0
  O  O14  1  0.07134800  0.23325300  0.50000000  1.0
  O  O15  1  0.72212700  0.02793900  0.28844000  1.0
  O  O16  1  0.72212700  0.02793900  0.71156000  1.0
  O  O17  1  0.22212700  0.97206100  0.21156000  1.0
  O  O18  1  0.22212700  0.97206100  0.78844000  1.0
  O  O19  1  0.57134800  0.76674700  0.00000000  1.0