data_[Sr4Ti2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.6781]
_cell_length_b [5.6781]
_cell_length_c [7.9819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sr2TiMoO6]
_chemical_formula_sum '[Sr4 Ti2 Mo2 O12]'
_cell_volume [257.3420]
_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
[
  Sr  Sr0  4  0.0000  0.5000  0.2500  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.2180  0.7356  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.2528  1.0
]