data_[Li2Te4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1031]
_cell_length_b [3.4778]
_cell_length_c [4.7433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTe2Mo]
_chemical_formula_sum '[Li2 Te4 Mo2]'
_cell_volume [166.5586]
_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
[
  Li  Li0  2  0.4628  0.0000  0.3723  1
  Te  Te1  2  0.0073  0.0000  0.8901  1
  Te  Te2  2  0.2322  0.5000  0.3954  1
  Mo  Mo3  2  0.2977  0.0000  0.8422  1
]