# generated using pymatgen
data_Ca3Tb(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29223409
_cell_length_b   5.38917519
_cell_length_c   7.52178057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.76729697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Tb(FeO3)4
_chemical_formula_sum   'Ca3 Tb1 Fe4 O12'
_cell_volume   214.52525417
_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  0.49216106  0.45830074  0.25000000  1.0
  Ca  Ca1  1  0.99080586  0.04414315  0.75000000  1.0
  Ca  Ca2  1  0.01037373  0.95568602  0.25000000  1.0
  Tb  Tb3  1  0.51013009  0.55313587  0.75000000  1.0
  Fe  Fe4  1  0.49875669  0.00224178  0.49814813  1.0
  Fe  Fe5  1  0.49875669  0.00224178  0.00185187  1.0
  Fe  Fe6  1  0.00159526  0.49836503  0.00166626  1.0
  Fe  Fe7  1  0.00159526  0.49836503  0.49833374  1.0
  O  O8  1  0.21005253  0.21024897  0.03648073  1.0
  O  O9  1  0.21005253  0.21024897  0.46351927  1.0
  O  O10  1  0.70666526  0.29521128  0.95765369  1.0
  O  O11  1  0.78294843  0.78305259  0.54290191  1.0
  O  O12  1  0.29068957  0.70748637  0.46886647  1.0
  O  O13  1  0.78294843  0.78305259  0.95709809  1.0
  O  O14  1  0.42992815  0.98280394  0.75000000  1.0
  O  O15  1  0.93237914  0.51449890  0.25000000  1.0
  O  O16  1  0.08179600  0.48534522  0.75000000  1.0
  O  O17  1  0.70666526  0.29521128  0.54234631  1.0
  O  O18  1  0.29068957  0.70748637  0.03113353  1.0
  O  O19  1  0.57100949  0.01287613  0.25000000  1.0