data_[Sr6Mo4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1780]
_cell_length_b [4.1780]
_cell_length_c [19.9957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr3(MoO3)2]
_chemical_formula_sum '[Sr6 Mo4 O12]'
_cell_volume [349.0430]
_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  0.0000  0.1814  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.0000  0.0000  0.4028  1
  O  O3  8  0.0000  0.5000  0.0839  1
  O  O4  4  0.0000  0.0000  0.3003  1
]