# generated using pymatgen
data_LiZr5TlF22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03247251
_cell_length_b   8.03552683
_cell_length_c   11.56209094
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr5TlF22
_chemical_formula_sum   'Li2 Zr10 Tl2 F44'
_cell_volume   746.27687514
_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  1  0.50000000  0.24907384  -0.00000000  1
  Li  Li1  1  0.00000000  0.74907384  -0.00000000  1
  Zr  Zr2  1  0.18007527  0.56935668  0.25240500  1
  Zr  Zr3  1  0.68024460  0.42984072  0.25237186  1
  Zr  Zr4  1  0.31992473  0.06935668  0.25240500  1
  Zr  Zr5  1  0.81975540  0.92984072  0.25237186  1
  Zr  Zr6  1  0.31975540  0.42984072  0.74762814  1
  Zr  Zr7  1  0.81992473  0.56935668  0.74759500  1
  Zr  Zr8  1  0.18024460  0.92984072  0.74762814  1
  Zr  Zr9  1  0.68007527  0.06935668  0.74759500  1
  Zr  Zr10  1  0.50000000  0.74956134  0.50000000  1
  Zr  Zr11  1  0.00000000  0.24956134  0.50000000  1
  Tl  Tl12  1  0.50000000  0.74595105  -0.00000000  1
  Tl  Tl13  1  0.00000000  0.24595105  -0.00000000  1
  F  F14  1  0.14098006  0.60896236  0.08312594  1
  F  F15  1  0.64036474  0.39042576  0.08309681  1
  F  F16  1  0.35901994  0.10896236  0.08312594  1
  F  F17  1  0.85963526  0.89042576  0.08309681  1
  F  F18  1  0.35963526  0.39042576  0.91690319  1
  F  F19  1  0.85901994  0.60896236  0.91687406  1
  F  F20  1  0.14036474  0.89042576  0.91690319  1
  F  F21  1  0.64098006  0.10896236  0.91687406  1
  F  F22  1  0.29850739  0.66382714  0.40085879  1
  F  F23  1  0.79873825  0.33532190  0.40073316  1
  F  F24  1  0.20149261  0.16382714  0.40085879  1
  F  F25  1  0.70126175  0.83532190  0.40073316  1
  F  F26  1  0.20126175  0.33532190  0.59926684  1
  F  F27  1  0.70149261  0.66382714  0.59914121  1
  F  F28  1  0.29873825  0.83532190  0.59926684  1
  F  F29  1  0.79850739  0.16382714  0.59914121  1
  F  F30  1  0.41412518  0.54822486  0.59918255  1
  F  F31  1  0.08587482  0.04822486  0.59918255  1
  F  F32  1  0.91424416  0.45092296  0.59916932  1
  F  F33  1  0.58575584  0.95092296  0.59916932  1
  F  F34  1  0.08575584  0.45092296  0.40083068  1
  F  F35  1  0.41424416  0.95092296  0.40083068  1
  F  F36  1  0.58587482  0.54822486  0.40081745  1
  F  F37  1  0.91412518  0.04822486  0.40081745  1
  F  F38  1  0.28679454  0.81962681  0.21085902  1
  F  F39  1  0.78688895  0.17968779  0.21062992  1
  F  F40  1  0.21320546  0.31962681  0.21085902  1
  F  F41  1  0.71311105  0.67968779  0.21062992  1
  F  F42  1  0.21311105  0.17968779  0.78937008  1
  F  F43  1  0.71320546  0.81962681  0.78914098  1
  F  F44  1  0.28688895  0.67968779  0.78937008  1
  F  F45  1  0.78679454  0.31962681  0.78914098  1
  F  F46  1  0.56994201  0.53643882  0.78914644  1
  F  F47  1  0.93005799  0.03643882  0.78914644  1
  F  F48  1  0.06995107  0.46290977  0.78938872  1
  F  F49  1  0.43004893  0.96290977  0.78938872  1
  F  F50  1  0.93004893  0.46290977  0.21061128  1
  F  F51  1  0.56995107  0.96290977  0.21061128  1
  F  F52  1  0.43005799  0.53643882  0.21085356  1
  F  F53  1  0.06994201  0.03643882  0.21085356  1
  F  F54  1  0.50018409  0.24960832  0.29701166  1
  F  F55  1  0.99981591  0.74960832  0.29701166  1
  F  F56  1  0.00018409  0.74960832  0.70298834  1
  F  F57  1  0.49981591  0.24960832  0.70298834  1
