data_[Sr4Tl6Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1734]
_cell_length_b [10.4887]
_cell_length_c [7.3016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Tl3MoO6]
_chemical_formula_sum '[Sr4 Tl6 Mo2 O12]'
_cell_volume [440.4071]
_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  0.3336  0.0000  1
  Tl  Tl1  4  0.0000  0.1572  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Mo  Mo3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2050  0.1341  0.1587  1
  O  O5  4  0.1899  0.0000  0.8298  1
]