# generated using pymatgen
data_LiCrP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18480900
_cell_length_b   7.69271512
_cell_length_c   9.96535017
_cell_angle_alpha   82.72233919
_cell_angle_beta   74.42441445
_cell_angle_gamma   77.85605901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP3H8O13
_chemical_formula_sum   'Li2 Cr2 P6 H16 O26'
_cell_volume   517.24936717
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Cr  Cr2  1  0.80730900  0.81861700  0.76950300  1
  Cr  Cr3  1  0.19269100  0.18138300  0.23049700  1
  P  P4  1  0.32629200  0.80532700  0.74237300  1
  P  P5  1  0.24173900  0.80581600  0.47506600  1
  P  P6  1  0.59311500  0.45932900  0.73094400  1
  P  P7  1  0.40688500  0.54067100  0.26905600  1
  P  P8  1  0.75826100  0.19418400  0.52493400  1
  P  P9  1  0.67370800  0.19467300  0.25762700  1
  H  H10  1  0.36031700  0.98043200  0.96351500  1
  H  H11  1  0.81904200  0.81686300  0.43018900  1
  H  H12  1  0.31079700  0.86155000  0.10136500  1
  H  H13  1  0.92000200  0.73944500  0.20492400  1
  H  H14  1  0.69130700  0.69446500  0.39808600  1
  H  H15  1  0.85753400  0.66466700  0.00878700  1
  H  H16  1  0.65131500  0.62815100  0.00136200  1
  H  H17  1  0.09934400  0.65973000  0.08587500  1
  H  H18  1  0.90065600  0.34027000  0.91412500  1
  H  H19  1  0.34868500  0.37184900  0.99863800  1
  H  H20  1  0.14246600  0.33533300  0.99121300  1
  H  H21  1  0.30869300  0.30553500  0.60191400  1
  H  H22  1  0.07999800  0.26055500  0.79507600  1
  H  H23  1  0.68920300  0.13845000  0.89863500  1
  H  H24  1  0.18095800  0.18313700  0.56981100  1
  H  H25  1  0.63968300  0.01956800  0.03648500  1
  O  O26  1  0.47354800  0.87724700  0.79119700  1
  O  O27  1  0.27025700  0.98334100  0.05799200  1
  O  O28  1  0.19285800  0.96534900  0.37908100  1
  O  O29  1  0.36087400  0.86256200  0.57482400  1
  O  O30  1  0.11196700  0.85444600  0.81328000  1
  O  O31  1  0.97439500  0.74481000  0.10119800  1
  O  O32  1  0.82636700  0.71480700  0.37857300  1
  O  O33  1  0.78759100  0.62975700  0.94349200  1
  O  O34  1  0.75835600  0.56017100  0.67216200  1
  O  O35  1  0.08308300  0.70988000  0.55932100  1
  O  O36  1  0.42177400  0.66116500  0.38889000  1
  O  O37  1  0.38070200  0.58891700  0.74629000  1
  O  O38  1  0.41652400  0.65323300  0.13351800  1
  O  O39  1  0.58347600  0.34676700  0.86648200  1
  O  O40  1  0.61929800  0.41108300  0.25371000  1
  O  O41  1  0.57822600  0.33883500  0.61111000  1
  O  O42  1  0.91691700  0.29012000  0.44067900  1
  O  O43  1  0.24164400  0.43982900  0.32783800  1
  O  O44  1  0.21240900  0.37024300  0.05650800  1
  O  O45  1  0.17363300  0.28519300  0.62142700  1
  O  O46  1  0.02560500  0.25519000  0.89880200  1
  O  O47  1  0.88803300  0.14555400  0.18672000  1
  O  O48  1  0.63912600  0.13743800  0.42517600  1
  O  O49  1  0.80714200  0.03465100  0.62091900  1
  O  O50  1  0.72974300  0.01665900  0.94200800  1
  O  O51  1  0.52645200  0.12275300  0.20880300  1
