data_[Li2Nd2Er2Te6]
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
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9442]
_cell_length_b [4.2736]
_cell_length_c [9.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNdErTe3]
_chemical_formula_sum '[Li2 Nd2 Er2 Te6]'
_cell_volume [353.4789]
_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  0.0845  0.7500  0.5853  1
  Nd  Nd1  2  0.1900  0.7500  0.2342  1
  Er  Er2  2  0.3297  0.2500  0.8390  1
  Te  Te3  2  0.0931  0.7500  0.8750  1
  Te  Te4  2  0.2355  0.2500  0.5031  1
  Te  Te5  2  0.4332  0.2500  0.1723  1
]