# generated using pymatgen
data_MgCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52915039
_cell_length_b   8.52745663
_cell_length_c   8.52796639
_cell_angle_alpha   60.40522873
_cell_angle_beta   60.39776973
_cell_angle_gamma   60.40688422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr3(SO4)6
_chemical_formula_sum   'Mg1 Cr3 S6 O24'
_cell_volume   442.58699001
_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
  Mg  Mg0  1  0.99940200  0.99942700  0.99948500  1.0
  Cr  Cr1  1  0.14608600  0.14598000  0.14593200  1.0
  Cr  Cr2  1  0.63866500  0.63858400  0.63866000  1.0
  Cr  Cr3  1  0.85495800  0.85499600  0.85495400  1.0
  S  S4  1  0.04119900  0.75410400  0.44903800  1.0
  S  S5  1  0.44919700  0.04122600  0.75405200  1.0
  S  S6  1  0.75413700  0.44906400  0.04110100  1.0
  S  S7  1  0.25416800  0.54823300  0.95988600  1.0
  S  S8  1  0.54803000  0.95978200  0.25429800  1.0
  S  S9  1  0.95983000  0.25421800  0.54825900  1.0
  O  O10  1  0.10692500  0.31419100  0.51339500  1.0
  O  O11  1  0.31395800  0.51326700  0.10710200  1.0
  O  O12  1  0.02643300  0.93452900  0.26827800  1.0
  O  O13  1  0.51281700  0.10702700  0.31423700  1.0
  O  O14  1  0.99628700  0.81955200  0.60431700  1.0
  O  O15  1  0.23035500  0.61972700  0.41236700  1.0
  O  O16  1  0.41258600  0.23038400  0.61962800  1.0
  O  O17  1  0.26840000  0.02641800  0.93442800  1.0
  O  O18  1  0.61985000  0.41223500  0.23033400  1.0
  O  O19  1  0.07769800  0.73518000  0.95254900  1.0
  O  O20  1  0.19621600  0.39472300  0.98762100  1.0
  O  O21  1  0.39468900  0.98746700  0.19619900  1.0
  O  O22  1  0.60436900  0.99644500  0.81955600  1.0
  O  O23  1  0.81947900  0.60438300  0.99614300  1.0
  O  O24  1  0.93463900  0.26834100  0.02622800  1.0
  O  O25  1  0.39391800  0.58491200  0.76139800  1.0
  O  O26  1  0.73508200  0.95250000  0.07785700  1.0
  O  O27  1  0.58468000  0.76135200  0.39402400  1.0
  O  O28  1  0.76139200  0.39392900  0.58480400  1.0
  O  O29  1  0.98781600  0.19617800  0.39471200  1.0
  O  O30  1  0.49088000  0.88679600  0.69148000  1.0
  O  O31  1  0.95246500  0.07777500  0.73522800  1.0
  O  O32  1  0.69152600  0.49047400  0.88687500  1.0
  O  O33  1  0.88682400  0.69155700  0.49053500  1.0