# generated using pymatgen
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49193800
_cell_length_b   9.22550973
_cell_length_c   10.80281360
_cell_angle_alpha   112.67759829
_cell_angle_beta   89.95372449
_cell_angle_gamma   106.36424840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrP2O7
_chemical_formula_sum   'Li8 Cr4 P8 O28'
_cell_volume   568.52900635
_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  0.03386800  0.18333200  0.50538000  1
  Li  Li1  1  0.63067800  0.07681800  0.62333600  1
  Li  Li2  1  0.59129300  0.50943100  0.96980000  1
  Li  Li3  1  0.15290900  0.10184100  0.12333200  1
  Li  Li4  1  0.16087300  0.48950500  0.04312800  1
  Li  Li5  1  0.87496900  0.89562300  0.88839300  1
  Li  Li6  1  0.36051500  0.92543500  0.37697700  1
  Li  Li7  1  0.95258100  0.83491000  0.50418900  1
  Cr  Cr8  1  0.35891200  0.50794700  0.73563700  1
  Cr  Cr9  1  0.72635900  0.09653400  0.21991800  1
  Cr  Cr10  1  0.28046700  0.89484500  0.77569800  1
  Cr  Cr11  1  0.62831500  0.48167100  0.25278200  1
  P  P12  1  0.08443700  0.18399400  0.79072900  1
  P  P13  1  0.70476600  0.18731000  0.93587200  1
  P  P14  1  0.55752800  0.28320000  0.46210000  1
  P  P15  1  0.12589100  0.44296900  0.29896000  1
  P  P16  1  0.86392300  0.54787500  0.69770300  1
  P  P17  1  0.43955700  0.71265600  0.53188400  1
  P  P18  1  0.30319500  0.80325900  0.06295500  1
  P  P19  1  0.92061900  0.80575300  0.20527400  1
  O  O20  1  0.11374200  0.06269600  0.84956200  1
  O  O21  1  0.56501000  0.07962800  0.79850300  1
  O  O22  1  0.29187300  0.32275000  0.81013400  1
  O  O23  1  0.96039900  0.09436000  0.64774500  1
  O  O24  1  0.02801900  0.45806500  0.69679000  1
  O  O25  1  0.93633400  0.28234100  0.89574400  1
  O  O26  1  0.64172000  0.14524400  0.46892100  1
  O  O27  1  0.03581300  0.26239800  0.28240700  1
  O  O28  1  0.34474000  0.28306600  0.51885000  1
  O  O29  1  0.37407500  0.65503400  0.97645900  1
  O  O30  1  0.55810200  0.27488400  0.31430500  1
  O  O31  1  0.68832200  0.53329100  0.79227400  1
  O  O32  1  0.75797200  0.08078400  0.00236600  1
  O  O33  1  0.25757700  0.53774700  0.44859100  1
  O  O34  1  0.73648400  0.45948000  0.54543200  1
  O  O35  1  0.24963100  0.90592800  0.99320400  1
  O  O36  1  0.29294100  0.45663800  0.19848100  1
  O  O37  1  0.43778900  0.71544500  0.67794400  1
  O  O38  1  0.62733600  0.32882000  0.02511400  1
  O  O39  1  0.64960300  0.70971600  0.47268600  1
  O  O40  1  0.96590200  0.72967600  0.72052000  1
  O  O41  1  0.35889000  0.85359900  0.52914300  1
  O  O42  1  0.07766700  0.70933300  0.10735900  1
  O  O43  1  0.95642500  0.52501000  0.29391600  1
  O  O44  1  0.03638700  0.89434200  0.34985800  1
  O  O45  1  0.71024000  0.66774600  0.17958700  1
  O  O46  1  0.44467000  0.91403800  0.19920000  1
  O  O47  1  0.89953100  0.92884000  0.14561500  1
