# generated using pymatgen
data_Sr3Ca(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50470991
_cell_length_b   5.48222585
_cell_length_c   7.79002801
_cell_angle_alpha   90.00121360
_cell_angle_beta   89.99564329
_cell_angle_gamma   90.22805806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ca(FeO3)4
_chemical_formula_sum   'Sr3 Ca1 Fe4 O12'
_cell_volume   235.08609278
_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
  Sr  Sr0  1  0.49681500  0.48458400  0.75002000  1.0
  Sr  Sr1  1  0.50056300  0.51212100  0.25000200  1.0
  Sr  Sr2  1  0.00140200  0.98911900  0.74999500  1.0
  Ca  Ca3  1  0.99820400  0.02706400  0.25004900  1.0
  Fe  Fe4  1  0.49990800  0.99878700  0.00193400  1.0
  Fe  Fe5  1  0.00002100  0.50167100  0.00165300  1.0
  Fe  Fe6  1  0.00007700  0.50161700  0.49833100  1.0
  Fe  Fe7  1  0.49988100  0.99881500  0.49801100  1.0
  O  O8  1  0.73214600  0.26607300  0.02060400  1.0
  O  O9  1  0.23030100  0.22858000  0.98225700  1.0
  O  O10  1  0.77651300  0.77767900  0.46933000  1.0
  O  O11  1  0.27314000  0.72811800  0.51776300  1.0
  O  O12  1  0.27313100  0.72806800  0.98215800  1.0
  O  O13  1  0.77657500  0.77760300  0.03064800  1.0
  O  O14  1  0.23043500  0.22848000  0.51772400  1.0
  O  O15  1  0.73218100  0.26607200  0.47943000  1.0
  O  O16  1  0.03599200  0.48291500  0.25000400  1.0
  O  O17  1  0.53698400  0.99611500  0.75003900  1.0
  O  O18  1  0.44300700  0.00082500  0.25005300  1.0
  O  O19  1  0.96272300  0.50569300  0.74999300  1.0