data_[Li1Mn3Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9773]
_cell_length_b [3.9773]
_cell_length_c [18.4652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li(MnTe2)3]
_chemical_formula_sum '[Li1 Mn3 Te6]'
_cell_volume [252.9682]
_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  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.3171  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  2  0.3333  0.6667  0.2355  1.0
  Te  Te4  2  0.3333  0.6667  0.5981  1.0
  Te  Te5  2  0.3333  0.6667  0.9201  1.0
]