# generated using pymatgen
data_CrSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84540306
_cell_length_b   9.01407284
_cell_length_c   6.98952315
_cell_angle_alpha   89.98619214
_cell_angle_beta   89.98293132
_cell_angle_gamma   96.84606981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSO4
_chemical_formula_sum   'Cr4 S4 O16'
_cell_volume   303.10343895
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.49990300  0.49980200  0.99992100  1.0
  Cr  Cr1  1  0.99979700  0.00000100  0.50001100  1.0
  Cr  Cr2  1  0.00007300  0.99999900  0.00000200  1.0
  Cr  Cr3  1  0.50019400  0.50002300  0.49996400  1.0
  S  S4  1  0.51935400  0.17289700  0.25001500  1.0
  S  S5  1  0.01934600  0.67286700  0.24991900  1.0
  S  S6  1  0.98065100  0.32712100  0.74997100  1.0
  S  S7  1  0.48064300  0.82714200  0.75008600  1.0
  O  O8  1  0.56750600  0.34035200  0.24998600  1.0
  O  O9  1  0.06750300  0.84035100  0.24989100  1.0
  O  O10  1  0.70497500  0.38771100  0.74993200  1.0
  O  O11  1  0.20495700  0.88772800  0.75006300  1.0
  O  O12  1  0.79506800  0.11231800  0.25002700  1.0
  O  O13  1  0.29509300  0.61230800  0.24986200  1.0
  O  O14  1  0.93252400  0.15966000  0.74998800  1.0
  O  O15  1  0.43253200  0.65966600  0.75007100  1.0
  O  O16  1  0.36788800  0.12258100  0.07362600  1.0
  O  O17  1  0.86771900  0.62251100  0.07363800  1.0
  O  O18  1  0.36777100  0.12254500  0.42644400  1.0
  O  O19  1  0.86797700  0.62257800  0.42642400  1.0
  O  O20  1  0.13232400  0.37749900  0.57364900  1.0
  O  O21  1  0.63213200  0.87747600  0.57363100  1.0
  O  O22  1  0.13195300  0.37739600  0.92646000  1.0
  O  O23  1  0.63211600  0.87746800  0.92641800  1.0