data_[Sr9Cd6Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2978]
_cell_length_b [5.2978]
_cell_length_c [25.6637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3(CdMo)2]
_chemical_formula_sum '[Sr9 Cd6 Mo6]'
_cell_volume [623.7889]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1266  1
  Sr  Sr1  3  0.0000  0.0000  0.3697  1
  Sr  Sr2  3  0.0000  0.0000  0.6195  1
  Cd  Cd3  3  0.0000  0.0000  0.2375  1
  Cd  Cd4  3  0.0000  0.0000  0.8152  1
  Mo  Mo5  3  0.0000  0.0000  0.5047  1
  Mo  Mo6  3  0.0000  0.0000  0.9518  1
]