data_[Sr64Al96Mo16O256]
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 [I4_1/acd]
_cell_length_a [19.1088]
_cell_length_b [19.1088]
_cell_length_c [19.0037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [142]
_chemical_formula_structural [Sr4Al6MoO16]
_chemical_formula_sum '[Sr64 Al96 Mo16 O256]'
_cell_volume [6939.1270]
_cell_formula_units_Z [16]
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  32  0.1227  0.3707  0.2434  1
  Sr  Sr1  16  0.1220  0.1220  0.7500  1
  Sr  Sr2  16  0.1295  0.1295  0.2500  1
  Al  Al3  32  0.0033  0.6258  0.1253  1
  Al  Al4  32  0.1251  0.2472  0.1212  1
  Al  Al5  16  0.2462  0.2462  0.7500  1
  Al  Al6  8  0.0000  0.0000  0.0000  1
  Al  Al7  8  0.0000  0.0000  0.2500  1
  Mo  Mo8  16  0.0010  0.2500  0.3750  1
  O  O9  32  0.0004  0.4195  0.5449  1
  O  O10  32  0.0005  0.0807  0.5443  1
  O  O11  32  0.0543  0.1733  0.8731  1
  O  O12  32  0.0561  0.2490  0.4519  1
  O  O13  32  0.0717  0.3214  0.1261  1
  O  O14  32  0.0875  0.1633  0.1246  1
  O  O15  32  0.1616  0.2488  0.7136  1
  O  O16  32  0.1800  0.2499  0.1953  1
]