data_[Sr4U2Al2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  U  1.3800  1.7500  0.9913
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7881]
_cell_length_b [7.0750]
_cell_length_c [11.8317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2UAlS6]
_chemical_formula_sum '[Sr4 U2 Al2 S12]'
_cell_volume [468.5299]
_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  0.2264  0.5694  0.7466  1
  U  U1  2  0.5000  0.0000  0.0000  1
  Al  Al2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1481  0.7106  0.4559  1
  S  S4  4  0.2480  0.1938  0.4563  1
  S  S5  4  0.3256  0.5152  0.2402  1
]