data_[Li2Tm6Te8]
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 [Pmmn]
_cell_length_a [6.0578]
_cell_length_b [9.6901]
_cell_length_c [8.7934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [LiTm3Te4]
_chemical_formula_sum '[Li2 Tm6 Te8]'
_cell_volume [516.1830]
_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  0.0000  0.9087  1
  Tm  Tm1  4  0.0000  0.3018  0.3400  1
  Tm  Tm2  2  0.0000  0.5000  0.7251  1
  Te  Te3  4  0.0000  0.1973  0.6640  1
  Te  Te4  2  0.0000  0.0000  0.2327  1
  Te  Te5  2  0.0000  0.5000  0.0777  1
]