data_[Cd2Mo4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7338]
_cell_length_b [3.0126]
_cell_length_c [5.0518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdMo2Br]
_chemical_formula_sum '[Cd2 Mo4 Br2]'
_cell_volume [144.8516]
_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
[
  Cd  Cd0  2  0.0000  0.5000  0.0000  1
  Mo  Mo1  4  0.2457  0.5000  0.7459  1
  Br  Br2  2  0.0000  0.0000  0.5000  1
]