# generated using pymatgen
data_Ca3Y(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52001119
_cell_length_b   5.28793928
_cell_length_c   5.39423906
_cell_angle_alpha   89.71302042
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Y(FeO3)4
_chemical_formula_sum   'Ca3 Y1 Fe4 O12'
_cell_volume   214.50118142
_cell_formula_units_Z   1
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  0.50000000  0.49037607  0.54518892  1.0
  Ca  Ca1  1  0.00000000  0.99197833  0.95750646  1.0
  Ca  Ca2  1  0.00000000  0.51065189  0.45435902  1.0
  Y  Y3  1  0.50000000  0.01043347  0.05507161  1.0
  Fe  Fe4  1  0.24832906  0.99871618  0.50240975  1.0
  Fe  Fe5  1  0.75145762  0.50168162  0.99824635  1.0
  Fe  Fe6  1  0.75167094  0.99871618  0.50240975  1.0
  Fe  Fe7  1  0.24854238  0.50168162  0.99824635  1.0
  O  O8  1  0.50000000  0.58402462  0.98462970  1.0
  O  O9  1  0.50000000  0.92914629  0.48128587  1.0
  O  O10  1  0.00000000  0.43189932  0.01443888  1.0
  O  O11  1  0.00000000  0.07172785  0.51379691  1.0
  O  O12  1  0.78126091  0.79148426  0.20669755  1.0
  O  O13  1  0.21314219  0.70878791  0.70933461  1.0
  O  O14  1  0.29370819  0.20533587  0.79659339  1.0
  O  O15  1  0.70688444  0.28387523  0.28358016  1.0
  O  O16  1  0.70629181  0.20533587  0.79659339  1.0
  O  O17  1  0.29311556  0.28387523  0.28358016  1.0
  O  O18  1  0.21873909  0.79148426  0.20669755  1.0
  O  O19  1  0.78685781  0.70878791  0.70933461  1.0