data_[Sr6Mo2O12]
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 [P2_1/c]
_cell_length_a [5.8752]
_cell_length_b [6.1360]
_cell_length_c [10.2771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3MoO6]
_chemical_formula_sum '[Sr6 Mo2 O12]'
_cell_volume [304.3470]
_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  0.2405  0.5521  0.2552  1
  Sr  Sr1  2  0.5000  0.0000  0.5000  1
  Mo  Mo2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.1005  0.7362  0.9336  1
  O  O4  4  0.2249  0.1740  0.9544  1
  O  O5  4  0.3222  0.5486  0.7179  1
]