# generated using pymatgen
data_Li3CaPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95336500
_cell_length_b   4.92766900
_cell_length_c   8.92130820
_cell_angle_alpha   85.90884521
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CaPCO7
_chemical_formula_sum   'Li6 Ca2 P2 C2 O14'
_cell_volume   304.89971626
_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  0.75000000  0.25557300  0.92199000  1
  Li  Li1  1  0.95037900  0.76803300  0.73781200  1
  Li  Li2  1  0.54962100  0.76803300  0.73781200  1
  Li  Li3  1  0.45037900  0.23196700  0.26218800  1
  Li  Li4  1  0.04962100  0.23196700  0.26218800  1
  Li  Li5  1  0.25000000  0.74442700  0.07801000  1
  Ca  Ca6  1  0.25000000  0.23792900  0.65072300  1
  Ca  Ca7  1  0.75000000  0.76207100  0.34927700  1
  P  P8  1  0.75000000  0.28730900  0.59966200  1
  P  P9  1  0.25000000  0.71269100  0.40033800  1
  C  C10  1  0.25000000  0.28400400  0.96346500  1
  C  C11  1  0.75000000  0.71599600  0.03653500  1
  O  O12  1  0.25000000  0.03803700  0.92190000  1
  O  O13  1  0.75000000  0.66835000  0.89360400  1
  O  O14  1  0.25000000  0.49098300  0.86495600  1
  O  O15  1  0.92776000  0.16940200  0.68778200  1
  O  O16  1  0.57224000  0.16940200  0.68778200  1
  O  O17  1  0.75000000  0.60456900  0.60130500  1
  O  O18  1  0.25000000  0.77631900  0.56946700  1
  O  O19  1  0.75000000  0.22368100  0.43053300  1
  O  O20  1  0.25000000  0.39543100  0.39869500  1
  O  O21  1  0.42776000  0.83059800  0.31221800  1
  O  O22  1  0.07224000  0.83059800  0.31221800  1
  O  O23  1  0.75000000  0.50901700  0.13504400  1
  O  O24  1  0.25000000  0.33165000  0.10639600  1
  O  O25  1  0.75000000  0.96196300  0.07810000  1
