# generated using pymatgen
data_MgCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87223072
_cell_length_b   8.87223072
_cell_length_c   8.87223044
_cell_angle_alpha   56.01897440
_cell_angle_beta   56.01897440
_cell_angle_gamma   56.01897306
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr3(SO4)6
_chemical_formula_sum   'Mg1 Cr3 S6 O24'
_cell_volume   448.29480654
_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  0.85264000  0.85264000  0.85264000  1.0
  Cr  Cr1  1  0.64478000  0.64478000  0.64478000  1.0
  Cr  Cr2  1  0.35608200  0.35608200  0.35608200  1.0
  Cr  Cr3  1  0.15002500  0.15002500  0.15002500  1.0
  S  S4  1  0.96156000  0.25525000  0.53280100  1.0
  S  S5  1  0.46076700  0.04316600  0.74733500  1.0
  S  S6  1  0.74733500  0.46076700  0.04316600  1.0
  S  S7  1  0.25525000  0.53280100  0.96156000  1.0
  S  S8  1  0.53280100  0.96156000  0.25525000  1.0
  S  S9  1  0.04316600  0.74733500  0.46076700  1.0
  O  O10  1  0.70280400  0.48247700  0.89195300  1.0
  O  O11  1  0.89195300  0.70280400  0.48247700  1.0
  O  O12  1  0.98682700  0.05446000  0.66632100  1.0
  O  O13  1  0.97825400  0.28665400  0.34041800  1.0
  O  O14  1  0.64731100  0.02734700  0.71889000  1.0
  O  O15  1  0.95230300  0.32273500  0.01846100  1.0
  O  O16  1  0.48247700  0.89195300  0.70280400  1.0
  O  O17  1  0.76481200  0.38879400  0.61330700  1.0
  O  O18  1  0.32273500  0.01846100  0.95230300  1.0
  O  O19  1  0.61855600  0.37033000  0.23935900  1.0
  O  O20  1  0.37033000  0.23935900  0.61855600  1.0
  O  O21  1  0.71889000  0.64731100  0.02734700  1.0
  O  O22  1  0.28665400  0.34041800  0.97825400  1.0
  O  O23  1  0.61330700  0.76481200  0.38879400  1.0
  O  O24  1  0.38879400  0.61330700  0.76481200  1.0
  O  O25  1  0.66632100  0.98682700  0.05446000  1.0
  O  O26  1  0.23935900  0.61855600  0.37033000  1.0
  O  O27  1  0.50464600  0.10763300  0.31095300  1.0
  O  O28  1  0.05446000  0.66632100  0.98682700  1.0
  O  O29  1  0.34041800  0.97825400  0.28665400  1.0
  O  O30  1  0.02734700  0.71889000  0.64731100  1.0
  O  O31  1  0.01846100  0.95230300  0.32273500  1.0
  O  O32  1  0.10763300  0.31095300  0.50464600  1.0
  O  O33  1  0.31095300  0.50464600  0.10763300  1.0