# generated using pymatgen
data_Ca3Sm(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32047104
_cell_length_b   5.38203101
_cell_length_c   7.54778290
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93173756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Sm(FeO3)4
_chemical_formula_sum   'Ca3 Sm1 Fe4 O12'
_cell_volume   216.13015798
_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  0.49300480  0.46098508  0.25000000  1.0
  Ca  Ca1  1  0.99182285  0.04008020  0.75000000  1.0
  Ca  Ca2  1  0.00906189  0.96060713  0.25000000  1.0
  Sm  Sm3  1  0.50798748  0.54308293  0.75000000  1.0
  Fe  Fe4  1  0.49920745  0.00151249  0.49718827  1.0
  Fe  Fe5  1  0.49920745  0.00151249  0.00281173  1.0
  Fe  Fe6  1  0.00108780  0.49895076  0.00292839  1.0
  Fe  Fe7  1  0.00108780  0.49895076  0.49707161  1.0
  O  O8  1  0.21454389  0.21351636  0.03538357  1.0
  O  O9  1  0.21454389  0.21351636  0.46461643  1.0
  O  O10  1  0.71180274  0.28918855  0.96408399  1.0
  O  O11  1  0.78164912  0.78291383  0.54029081  1.0
  O  O12  1  0.28867756  0.71045476  0.46895427  1.0
  O  O13  1  0.78164912  0.78291383  0.95970919  1.0
  O  O14  1  0.43246196  0.99029407  0.75000000  1.0
  O  O15  1  0.93413507  0.51501730  0.25000000  1.0
  O  O16  1  0.06942925  0.48670112  0.75000000  1.0
  O  O17  1  0.71180274  0.28918855  0.53591601  1.0
  O  O18  1  0.28867756  0.71045476  0.03104573  1.0
  O  O19  1  0.56815858  0.01016068  0.25000000  1.0