# generated using pymatgen
data_Li2MgCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34145000
_cell_length_b   8.42731023
_cell_length_c   8.97672372
_cell_angle_alpha   117.55590144
_cell_angle_beta   90.22841209
_cell_angle_gamma   119.18773608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCr3(SO4)6
_chemical_formula_sum   'Li2 Mg1 Cr3 S6 O24'
_cell_volume   466.42678820
_cell_formula_units_Z   1
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  0.57338800  0.13284500  0.62940300  1
  Li  Li1  1  0.82044600  0.79979200  0.62815300  1
  Mg  Mg2  1  0.64550900  0.40472800  0.94288800  1
  Cr  Cr3  1  0.85636600  0.61836900  0.53744000  1
  Cr  Cr4  1  0.35570300  0.57832100  0.06737600  1
  Cr  Cr5  1  0.15200700  0.40553000  0.44964500  1
  S  S6  1  0.25657500  0.71868700  0.75295700  1
  S  S7  1  0.04789600  0.01014100  0.24603900  1
  S  S8  1  0.44777600  0.69891000  0.24817700  1
  S  S9  1  0.53344700  0.29159600  0.74439200  1
  S  S10  1  0.96342300  0.00070700  0.74943900  1
  S  S11  1  0.75330000  0.30053100  0.24990800  1
  O  O12  1  0.05167500  0.64956800  0.70464500  1
  O  O13  1  0.29462300  0.05854800  0.60678800  1
  O  O14  1  0.03529200  0.90363300  0.38656300  1
  O  O15  1  0.31036200  0.68856300  0.28769000  1
  O  O16  1  0.10330300  0.77451200  0.91828300  1
  O  O17  1  0.38488900  0.61729600  0.77053300  1
  O  O18  1  0.02497900  0.75289200  0.29824300  1
  O  O19  1  0.35651500  0.53822800  0.21937900  1
  O  O20  1  0.49236300  0.01224300  0.09172900  1
  O  O21  1  0.71290400  0.41857700  0.09307500  1
  O  O22  1  0.24254900  0.15854000  0.22280300  1
  O  O23  1  0.62219600  0.53636300  0.40336700  1
  O  O24  1  0.34566200  0.42137200  0.60259800  1
  O  O25  1  0.76471300  0.86184300  0.76266200  1
  O  O26  1  0.30812000  0.58444600  0.91859300  1
  O  O27  1  0.50538600  0.98077300  0.91536800  1
  O  O28  1  0.62634800  0.47545900  0.75736000  1
  O  O29  1  0.99220500  0.25454400  0.69811800  1
  O  O30  1  0.61880100  0.41096700  0.22474100  1
  O  O31  1  0.89732700  0.21661800  0.08012700  1
  O  O32  1  0.66251800  0.29832900  0.70057800  1
  O  O33  1  0.97780000  0.10089200  0.60907000  1
  O  O34  1  0.72985900  0.96295300  0.40558700  1
  O  O35  1  0.95377600  0.38978500  0.29548000  1
