# generated using pymatgen
data_LiCaP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31328500
_cell_length_b   7.85939499
_cell_length_c   10.23729238
_cell_angle_alpha   84.97141633
_cell_angle_beta   74.68269973
_cell_angle_gamma   77.11381191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaP3H8O13
_chemical_formula_sum   'Li2 Ca2 P6 H16 O26'
_cell_volume   552.96558535
_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  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Ca  Ca2  1  0.17585000  0.19242900  0.24235000  1
  Ca  Ca3  1  0.82415000  0.80757100  0.75765000  1
  P  P4  1  0.24377900  0.79728400  0.47981300  1
  P  P5  1  0.75622100  0.20271600  0.52018700  1
  P  P6  1  0.40649300  0.54018000  0.27098700  1
  P  P7  1  0.59350700  0.45982000  0.72901300  1
  P  P8  1  0.67128000  0.19633700  0.25853400  1
  P  P9  1  0.32872000  0.80366300  0.74146600  1
  H  H10  1  0.35036200  0.37855400  0.98991900  1
  H  H11  1  0.64963800  0.62144600  0.01008100  1
  H  H12  1  0.14686500  0.34653900  0.98645600  1
  H  H13  1  0.85313500  0.65346100  0.01354400  1
  H  H14  1  0.64083600  0.02668200  0.03657100  1
  H  H15  1  0.35916400  0.97331800  0.96342900  1
  H  H16  1  0.69361500  0.13259800  0.90049500  1
  H  H17  1  0.30638500  0.86740200  0.09950500  1
  H  H18  1  0.30774200  0.30402400  0.59949200  1
  H  H19  1  0.69225800  0.69597600  0.40050800  1
  H  H20  1  0.18312700  0.18065200  0.57087400  1
  H  H21  1  0.81687300  0.81934800  0.42912600  1
  H  H22  1  0.07742400  0.25797600  0.79780300  1
  H  H23  1  0.92257600  0.74202400  0.20219700  1
  H  H24  1  0.90206300  0.33455600  0.91665300  1
  H  H25  1  0.09793700  0.66544400  0.08334700  1
  O  O26  1  0.08909400  0.70442700  0.56056900  1
  O  O27  1  0.91090600  0.29557300  0.43943100  1
  O  O28  1  0.19290700  0.95113200  0.39048800  1
  O  O29  1  0.80709300  0.04886800  0.60951200  1
  O  O30  1  0.42213600  0.65498000  0.39221500  1
  O  O31  1  0.57786400  0.34502000  0.60778500  1
  O  O32  1  0.64060000  0.14727400  0.42044000  1
  O  O33  1  0.35940000  0.85272600  0.57956000  1
  O  O34  1  0.24381300  0.44533300  0.32659100  1
  O  O35  1  0.75618700  0.55466700  0.67340900  1
  O  O36  1  0.41425500  0.64960100  0.14272800  1
  O  O37  1  0.58574500  0.35039900  0.85727200  1
  O  O38  1  0.61525800  0.40816700  0.25525500  1
  O  O39  1  0.38474200  0.59183300  0.74474500  1
  O  O40  1  0.88190000  0.14565500  0.18799100  1
  O  O41  1  0.11810000  0.85434500  0.81200900  1
  O  O42  1  0.52697600  0.12302700  0.21200300  1
  O  O43  1  0.47302400  0.87697300  0.78799700  1
  O  O44  1  0.78421700  0.61344800  0.95388500  1
  O  O45  1  0.21578300  0.38655200  0.04611500  1
  O  O46  1  0.72785300  0.01618600  0.94426900  1
  O  O47  1  0.27214700  0.98381400  0.05573100  1
  O  O48  1  0.17432500  0.28638400  0.61771000  1
  O  O49  1  0.82567500  0.71361600  0.38229000  1
  O  O50  1  0.02443200  0.24800500  0.89752700  1
  O  O51  1  0.97556800  0.75199500  0.10247300  1
