data_[Sr3Al2Mo1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6105]
_cell_length_b [5.6105]
_cell_length_c [7.1543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Al2MoO8]
_chemical_formula_sum '[Sr3 Al2 Mo1 O8]'
_cell_volume [195.0292]
_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  2  0.3333  0.6667  0.3411  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Al  Al2  2  0.3333  0.6667  0.7860  1.0
  Mo  Mo3  1  0.0000  0.0000  0.5000  1.0
  O  O4  6  0.1675  0.3349  0.6768  1.0
  O  O5  2  0.3333  0.6667  0.0241  1.0
]