# generated using pymatgen
data_LiScP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52197500
_cell_length_b   5.01522900
_cell_length_c   7.11600187
_cell_angle_alpha   71.08441612
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScP2O7
_chemical_formula_sum   'Li2 Sc2 P4 O14'
_cell_volume   287.71131267
_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  0.35368300  0.18304400  0.34111300  1
  Li  Li1  1  0.85368300  0.81695600  0.65888700  1
  Sc  Sc2  1  0.00080600  0.21128500  0.26823400  1
  Sc  Sc3  1  0.50080600  0.78871500  0.73176600  1
  P  P4  1  0.17930100  0.59897200  0.53259700  1
  P  P5  1  0.28709500  0.21969700  0.91989600  1
  P  P6  1  0.78709500  0.78030300  0.08010400  1
  P  P7  1  0.67930100  0.40102800  0.46740300  1
  O  O8  1  0.33021600  0.96413700  0.86125300  1
  O  O9  1  0.15778400  0.40385800  0.76264600  1
  O  O10  1  0.65778400  0.59614200  0.23735400  1
  O  O11  1  0.53923800  0.19823500  0.50593500  1
  O  O12  1  0.03923800  0.80176500  0.49406500  1
  O  O13  1  0.67705400  0.59798400  0.59276700  1
  O  O14  1  0.20257300  0.14403900  0.12071800  1
  O  O15  1  0.70257300  0.85596100  0.87928200  1
  O  O16  1  0.17705400  0.40201600  0.40723300  1
  O  O17  1  0.83588600  0.24214100  0.48455000  1
  O  O18  1  0.42936400  0.40662500  0.91783600  1
  O  O19  1  0.33588600  0.75785900  0.51545000  1
  O  O20  1  0.92936400  0.59337500  0.08216400  1
  O  O21  1  0.83021600  0.03586300  0.13874700  1
