data_[Sr4Fe3Mo1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6006]
_cell_length_b [5.6006]
_cell_length_c [7.9980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sr4Fe3MoO12]
_chemical_formula_sum '[Sr4 Fe3 Mo1 O12]'
_cell_volume [250.8729]
_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  4  0.0000  0.5000  0.2664  1.0
  Fe  Fe1  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  1  0.5000  0.5000  0.0000  1.0
  Fe  Fe3  1  0.5000  0.5000  0.5000  1.0
  Mo  Mo4  1  0.0000  0.0000  0.0000  1.0
  O  O5  4  0.2443  0.2443  0.0000  1.0
  O  O6  4  0.2454  0.2454  0.5000  1.0
  O  O7  2  0.0000  0.0000  0.2421  1.0
  O  O8  2  0.5000  0.5000  0.2497  1.0
]