data_[Li4Zr4Cu4Te12]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5671]
_cell_length_b [4.0391]
_cell_length_c [11.8345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiZrCuTe3]
_chemical_formula_sum '[Li4 Zr4 Cu4 Te12]'
_cell_volume [600.7093]
_cell_formula_units_Z [4]
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  4  0.2293  0.2500  0.5565  1
  Zr  Zr1  4  0.0700  0.2500  0.8203  1
  Cu  Cu2  4  0.2491  0.7500  0.7227  1
  Te  Te3  4  0.0611  0.7500  0.6417  1
  Te  Te4  4  0.0848  0.2500  0.0832  1
  Te  Te5  4  0.2100  0.7500  0.3539  1
]