# generated using pymatgen
data_CaSm(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35416249
_cell_length_b   5.48439506
_cell_length_c   7.59045616
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.73753426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(FeO3)2
_chemical_formula_sum   'Ca2 Sm2 Fe4 O12'
_cell_volume   222.88641400
_cell_formula_units_Z   2
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  0.98762450  0.04886030  0.75000000  1.0
  Ca  Ca1  1  0.01237550  0.95113970  0.25000000  1.0
  Sm  Sm2  1  0.51011857  0.55233296  0.75000000  1.0
  Sm  Sm3  1  0.48988143  0.44766704  0.25000000  1.0
  Fe  Fe4  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe7  1  0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.21634504  0.21139885  0.04555872  1.0
  O  O9  1  0.21634504  0.21139885  0.45444128  1.0
  O  O10  1  0.70609071  0.29786014  0.96206850  1.0
  O  O11  1  0.78365496  0.78860115  0.54555872  1.0
  O  O12  1  0.29390929  0.70213986  0.46206850  1.0
  O  O13  1  0.78365496  0.78860115  0.95444128  1.0
  O  O14  1  0.42079965  0.98468852  0.75000000  1.0
  O  O15  1  0.92171216  0.51983350  0.25000000  1.0
  O  O16  1  0.07828784  0.48016650  0.75000000  1.0
  O  O17  1  0.70609071  0.29786014  0.53793150  1.0
  O  O18  1  0.29390929  0.70213986  0.03793150  1.0
  O  O19  1  0.57920035  0.01531148  0.25000000  1.0