data_[Li2Zr2Te6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0139]
_cell_length_b [4.0741]
_cell_length_c [9.9796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiZrTe3Au]
_chemical_formula_sum '[Li2 Zr2 Te6 Au2]'
_cell_volume [315.3683]
_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  0.2566  0.7500  0.7862  1
  Zr  Zr1  2  0.3062  0.2500  0.3129  1
  Te  Te2  2  0.0655  0.7500  0.3609  1
  Te  Te3  2  0.3027  0.2500  0.0220  1
  Te  Te4  2  0.4159  0.2500  0.6310  1
  Au  Au5  2  0.0968  0.7500  0.0956  1
]