data_[Li1Cd1Te1Mo1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5302]
_cell_length_b [3.5302]
_cell_length_c [10.8609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiCdTeMoBr]
_chemical_formula_sum '[Li1 Cd1 Te1 Mo1 Br1]'
_cell_volume [117.2188]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0888  1
  Cd  Cd1  1  0.3333  0.6667  0.7058  1
  Te  Te2  1  0.0000  0.0000  0.3498  1
  Mo  Mo3  1  0.6667  0.3333  0.5103  1
  Br  Br4  1  0.3333  0.6667  0.9730  1
]