data_[Li2Nd6Tm4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2992]
_cell_length_b [4.3624]
_cell_length_c [8.8602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNd3(TmTe3)2]
_chemical_formula_sum '[Li2 Nd6 Tm4 Te12]'
_cell_volume [720.6709]
_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  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1650  0.0000  0.8285  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  4  0.1652  0.0000  0.3350  1.0
  Te  Te4  4  0.0040  0.0000  0.2348  1.0
  Te  Te5  4  0.1617  0.5000  0.0899  1.0
  Te  Te6  4  0.1701  0.5000  0.5742  1.0
]