# generated using pymatgen
data_LiCu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58210500
_cell_length_b   10.46898800
_cell_length_c   11.95410206
_cell_angle_alpha   67.64574345
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu(PO3)2
_chemical_formula_sum   'Li8 Cu8 P16 O48'
_cell_volume   993.31449865
_cell_formula_units_Z   8
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  0.39577500  0.74450500  0.51328200  1
  Li  Li1  1  0.94782200  0.77465700  0.70930300  1
  Li  Li2  1  0.44782200  0.22534300  0.79069700  1
  Li  Li3  1  0.10422500  0.74450500  0.01328200  1
  Li  Li4  1  0.60422500  0.25549500  0.48671800  1
  Li  Li5  1  0.89577500  0.25549500  0.98671800  1
  Li  Li6  1  0.55217800  0.77465700  0.20930300  1
  Li  Li7  1  0.05217800  0.22534300  0.29069700  1
  Cu  Cu8  1  0.03789900  0.75336200  0.47442600  1
  Cu  Cu9  1  0.27125900  0.73817100  0.76008200  1
  Cu  Cu10  1  0.46210100  0.75336200  0.97442600  1
  Cu  Cu11  1  0.96210100  0.24663800  0.52557400  1
  Cu  Cu12  1  0.22874100  0.73817100  0.26008200  1
  Cu  Cu13  1  0.77125900  0.26182900  0.73991800  1
  Cu  Cu14  1  0.53789900  0.24663800  0.02557400  1
  Cu  Cu15  1  0.72874100  0.26182900  0.23991800  1
  P  P16  1  0.26637200  0.46755000  0.51411100  1
  P  P17  1  0.73053200  0.97044300  0.52390700  1
  P  P18  1  0.98600700  0.99462700  0.81452400  1
  P  P19  1  0.48600700  0.00537300  0.68547600  1
  P  P20  1  0.99819300  0.49882400  0.81423500  1
  P  P21  1  0.23362800  0.46755000  0.01411100  1
  P  P22  1  0.76946800  0.97044300  0.02390700  1
  P  P23  1  0.50180700  0.49882400  0.31423500  1
  P  P24  1  0.49819300  0.50117600  0.68576500  1
  P  P25  1  0.23053200  0.02955700  0.97609300  1
  P  P26  1  0.76637200  0.53245000  0.98588900  1
  P  P27  1  0.00180700  0.50117600  0.18576500  1
  P  P28  1  0.51399300  0.99462700  0.31452400  1
  P  P29  1  0.01399300  0.00537300  0.18547600  1
  P  P30  1  0.26946800  0.02955700  0.47609300  1
  P  P31  1  0.73362800  0.53245000  0.48588900  1
  O  O32  1  0.24872500  0.87492600  0.53049500  1
  O  O33  1  0.39661300  0.89765400  0.78501900  1
  O  O34  1  0.42343600  0.62363200  0.69920300  1
  O  O35  1  0.86699600  0.87479200  0.55536500  1
  O  O36  1  0.36935200  0.41527800  0.63930700  1
  O  O37  1  0.04996400  0.86988800  0.79667100  1
  O  O38  1  0.12745400  0.37891000  0.53563700  1
  O  O39  1  0.38314600  0.07687900  0.56243600  1
  O  O40  1  0.07693300  0.61470000  0.71384400  1
  O  O41  1  0.62268100  0.92483200  0.64527400  1
  O  O42  1  0.25127500  0.87492600  0.03049500  1
  O  O43  1  0.24028800  0.62425700  0.96555100  1
  O  O44  1  0.74028800  0.37574300  0.53444900  1
  O  O45  1  0.88314600  0.92312100  0.93756400  1
  O  O46  1  0.61209800  0.57614100  0.57092600  1
  O  O47  1  0.45003600  0.86988800  0.29667100  1
  O  O48  1  0.37254600  0.37891000  0.03563700  1
  O  O49  1  0.11209800  0.42385900  0.92907400  1
  O  O50  1  0.92343600  0.37636800  0.80079700  1
  O  O51  1  0.42306700  0.61470000  0.21384400  1
  O  O52  1  0.86935200  0.58472200  0.86069300  1
  O  O53  1  0.36699600  0.12520800  0.94463500  1
  O  O54  1  0.87731900  0.92483200  0.14527400  1
  O  O55  1  0.89661300  0.10234600  0.71498100  1
  O  O56  1  0.10338700  0.89765400  0.28501900  1
  O  O57  1  0.12268100  0.07516800  0.85472600  1
  O  O58  1  0.63300400  0.87479200  0.05536500  1
  O  O59  1  0.13064800  0.41527800  0.13930700  1
  O  O60  1  0.57693300  0.38530000  0.78615600  1
  O  O61  1  0.07656400  0.62363200  0.19920300  1
  O  O62  1  0.88790200  0.57614100  0.07092600  1
  O  O63  1  0.62745400  0.62109000  0.96436300  1
  O  O64  1  0.54996400  0.13011200  0.70332900  1
  O  O65  1  0.38790200  0.42385900  0.42907400  1
  O  O66  1  0.11685400  0.07687900  0.06243600  1
  O  O67  1  0.25971200  0.62425700  0.46555100  1
  O  O68  1  0.75971200  0.37574300  0.03444900  1
  O  O69  1  0.74872500  0.12507400  0.96950500  1
  O  O70  1  0.37731900  0.07516800  0.35472600  1
  O  O71  1  0.92306700  0.38530000  0.28615600  1
  O  O72  1  0.61685400  0.92312100  0.43756400  1
  O  O73  1  0.87254600  0.62109000  0.46436300  1
  O  O74  1  0.95003600  0.13011200  0.20332900  1
  O  O75  1  0.63064800  0.58472200  0.36069300  1
  O  O76  1  0.13300400  0.12520800  0.44463500  1
  O  O77  1  0.57656400  0.37636800  0.30079700  1
  O  O78  1  0.60338700  0.10234600  0.21498100  1
  O  O79  1  0.75127500  0.12507400  0.46950500  1
