# generated using pymatgen
data_Li6Er(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.27198811
_cell_length_b   6.56769472
_cell_length_c   7.10587773
_cell_angle_alpha   74.93679751
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Er(BO3)3
_chemical_formula_sum   'Li24 Er4 B12 O36'
_cell_volume   733.30802111
_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  1  0.96514823  0.94450666  0.19645551  1
  Li  Li1  1  0.03485177  0.05549334  0.80354449  1
  Li  Li2  1  0.46514823  0.55549334  0.80354449  1
  Li  Li3  1  0.53485177  0.44450666  0.19645551  1
  Li  Li4  1  0.55412623  0.91313353  0.63364135  1
  Li  Li5  1  0.44587377  0.08686647  0.36635865  1
  Li  Li6  1  0.05412623  0.58686647  0.36635865  1
  Li  Li7  1  0.94587377  0.41313353  0.63364135  1
  Li  Li8  1  0.47048236  0.82911934  0.04449171  1
  Li  Li9  1  0.52951764  0.17088066  0.95550829  1
  Li  Li10  1  0.97048236  0.67088066  0.95550829  1
  Li  Li11  1  0.02951764  0.32911934  0.04449171  1
  Li  Li12  1  0.70552110  0.86671604  0.78612795  1
  Li  Li13  1  0.29447890  0.13328396  0.21387205  1
  Li  Li14  1  0.20552110  0.63328396  0.21387205  1
  Li  Li15  1  0.79447890  0.36671604  0.78612795  1
  Li  Li16  1  0.79486156  0.95539378  0.06366571  1
  Li  Li17  1  0.20513844  0.04460622  0.93633429  1
  Li  Li18  1  0.29486156  0.54460622  0.93633429  1
  Li  Li19  1  0.70513844  0.45539378  0.06366571  1
  Li  Li20  1  0.99570485  0.82313250  0.57149668  1
  Li  Li21  1  0.00429515  0.17686750  0.42850332  1
  Li  Li22  1  0.49570485  0.67686750  0.42850332  1
  Li  Li23  1  0.50429515  0.32313250  0.57149668  1
  Er  Er24  1  0.69031004  0.65343569  0.42114114  1
  Er  Er25  1  0.30968996  0.34656431  0.57885886  1
  Er  Er26  1  0.19031004  0.84656431  0.57885886  1
  Er  Er27  1  0.80968996  0.15343569  0.42114114  1
  B  B28  1  0.87870564  0.00061726  0.78714745  1
  B  B29  1  0.12129436  0.99938274  0.21285255  1
  B  B30  1  0.37870564  0.49938274  0.21285255  1
  B  B31  1  0.62129436  0.50061726  0.78714745  1
  B  B32  1  0.61566648  0.81144897  0.06086961  1
  B  B33  1  0.38433352  0.18855103  0.93913039  1
  B  B34  1  0.11566648  0.68855103  0.93913039  1
  B  B35  1  0.88433352  0.31144897  0.06086961  1
  B  B36  1  0.86458333  0.66204059  0.41517031  1
  B  B37  1  0.13541667  0.33795941  0.58482969  1
  B  B38  1  0.36458333  0.83795941  0.58482969  1
  B  B39  1  0.63541667  0.16204059  0.41517031  1
  O  O40  1  0.94749025  0.67541497  0.40993291  1
  O  O41  1  0.05250975  0.32458503  0.59006709  1
  O  O42  1  0.44749025  0.82458503  0.59006709  1
  O  O43  1  0.55250975  0.17541497  0.40993291  1
  O  O44  1  0.69909473  0.77077983  0.08110814  1
  O  O45  1  0.30090527  0.22922017  0.91889186  1
  O  O46  1  0.19909473  0.72922017  0.91889186  1
  O  O47  1  0.80090527  0.27077983  0.08110814  1
  O  O48  1  0.81437894  0.83648251  0.35457793  1
  O  O49  1  0.18562106  0.16351749  0.64542207  1
  O  O50  1  0.31437894  0.66351749  0.64542207  1
  O  O51  1  0.68562106  0.33648251  0.35457793  1
  O  O52  1  0.56825969  0.72987275  0.22480602  1
  O  O53  1  0.43174031  0.27012725  0.77519398  1
  O  O54  1  0.06825969  0.77012725  0.77519398  1
  O  O55  1  0.93174031  0.22987275  0.22480602  1
  O  O56  1  0.41136149  0.58677054  0.03378394  1
  O  O57  1  0.58863851  0.41322946  0.96621606  1
  O  O58  1  0.91136149  0.91322946  0.96621606  1
  O  O59  1  0.08863851  0.08677054  0.03378394  1
  O  O60  1  0.57941841  0.92455438  0.89170020  1
  O  O61  1  0.42058159  0.07544562  0.10829980  1
  O  O62  1  0.07941841  0.57544562  0.10829980  1
  O  O63  1  0.92058159  0.42455438  0.89170020  1
  O  O64  1  0.42583126  0.45724472  0.38094039  1
  O  O65  1  0.57416874  0.54275528  0.61905961  1
  O  O66  1  0.92583126  0.04275528  0.61905961  1
  O  O67  1  0.07416874  0.95724472  0.38094039  1
  O  O68  1  0.67422054  0.97036075  0.49246130  1
  O  O69  1  0.32577946  0.02963925  0.50753870  1
  O  O70  1  0.17422054  0.52963925  0.50753870  1
  O  O71  1  0.82577946  0.47036075  0.49246130  1
  O  O72  1  0.20341647  0.94136035  0.23965128  1
  O  O73  1  0.79658353  0.05863965  0.76034872  1
  O  O74  1  0.70341647  0.55863965  0.76034872  1
  O  O75  1  0.29658353  0.44136035  0.23965128  1
