# generated using pymatgen
data_Ca3Nd(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33880553
_cell_length_b   5.37328629
_cell_length_c   7.56499306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99089797
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Nd(FeO3)4
_chemical_formula_sum   'Ca3 Nd1 Fe4 O12'
_cell_volume   217.01642794
_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  0.49360334  0.46340432  0.25000000  1.0
  Ca  Ca1  1  0.99278291  0.03658301  0.75000000  1.0
  Ca  Ca2  1  0.00761460  0.96470830  0.25000000  1.0
  Nd  Nd3  1  0.50655621  0.53533659  0.75000000  1.0
  Fe  Fe4  1  0.49942638  0.00106128  0.49655221  1.0
  Fe  Fe5  1  0.49942638  0.00106128  0.00344779  1.0
  Fe  Fe6  1  0.00073344  0.49947172  0.00364880  1.0
  Fe  Fe7  1  0.00073344  0.49947172  0.49635120  1.0
  O  O8  1  0.21785165  0.21690455  0.03516483  1.0
  O  O9  1  0.21785165  0.21690455  0.46483517  1.0
  O  O10  1  0.71597916  0.28443796  0.96866526  1.0
  O  O11  1  0.78045353  0.78187005  0.53886896  1.0
  O  O12  1  0.28672081  0.71345937  0.46900157  1.0
  O  O13  1  0.78045353  0.78187005  0.96113104  1.0
  O  O14  1  0.43409398  0.99545333  0.75000000  1.0
  O  O15  1  0.93519437  0.51618255  0.25000000  1.0
  O  O16  1  0.06157328  0.48635659  0.75000000  1.0
  O  O17  1  0.71597916  0.28443796  0.53133474  1.0
  O  O18  1  0.28672081  0.71345937  0.03099843  1.0
  O  O19  1  0.56625236  0.00756646  0.25000000  1.0