# generated using pymatgen
data_Ca3Er(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26800735
_cell_length_b   5.39766029
_cell_length_c   7.50513876
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.63192207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Er(FeO3)4
_chemical_formula_sum   'Ca3 Er1 Fe4 O12'
_cell_volume   213.40357201
_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  0.49122262  0.45620652  0.25000000  1.0
  Ca  Ca1  1  0.98989864  0.04717896  0.75000000  1.0
  Ca  Ca2  1  0.01162619  0.95181732  0.25000000  1.0
  Er  Er3  1  0.51227392  0.56036102  0.75000000  1.0
  Fe  Fe4  1  0.49839682  0.00284861  0.49890826  1.0
  Fe  Fe5  1  0.49839682  0.00284861  0.00109174  1.0
  Fe  Fe6  1  0.00190228  0.49791410  0.00063146  1.0
  Fe  Fe7  1  0.00190228  0.49791410  0.49936854  1.0
  O  O8  1  0.20655770  0.20815638  0.03739438  1.0
  O  O9  1  0.20655770  0.20815638  0.46260562  1.0
  O  O10  1  0.70284644  0.29967131  0.95271378  1.0
  O  O11  1  0.78401484  0.78272057  0.54522333  1.0
  O  O12  1  0.29196750  0.70564192  0.46842866  1.0
  O  O13  1  0.78401484  0.78272057  0.95477667  1.0
  O  O14  1  0.42773762  0.97714538  0.75000000  1.0
  O  O15  1  0.93055412  0.51427978  0.25000000  1.0
  O  O16  1  0.09214722  0.48380371  0.75000000  1.0
  O  O17  1  0.70284644  0.29967131  0.54728622  1.0
  O  O18  1  0.29196750  0.70564192  0.03157134  1.0
  O  O19  1  0.57317151  0.01530054  0.25000000  1.0