data_[Li2Tm4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0776]
_cell_length_b [11.2571]
_cell_length_c [7.1421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LiTm2Te3]
_chemical_formula_sum '[Li2 Tm4 Te6]'
_cell_volume [327.8312]
_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  0.0000  0.1986  0.4927  1.0
  Tm  Tm1  2  0.0000  0.1148  0.9623  1.0
  Tm  Tm2  2  0.5000  0.4923  0.4856  1.0
  Te  Te3  2  0.0000  0.3770  0.2229  1.0
  Te  Te4  2  0.5000  0.0633  0.2841  1.0
  Te  Te5  2  0.5000  0.2788  0.7536  1.0
]