# generated using pymatgen
data_Sr4LiMn2Cu3(SO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99170369
_cell_length_b   5.99075435
_cell_length_c   8.96059310
_cell_angle_alpha   91.30827046
_cell_angle_beta   70.47760191
_cell_angle_gamma   93.92266599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4LiMn2Cu3(SO)4
_chemical_formula_sum   'Sr4 Li1 Mn2 Cu3 S4 O4'
_cell_volume   302.43801009
_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
  Sr  Sr0  1  0.39636100  0.99903300  0.19521900  1
  Sr  Sr1  1  0.90821100  0.50088000  0.19514500  1
  Sr  Sr2  1  0.05222800  0.54558300  0.80347300  1
  Sr  Sr3  1  0.64408800  0.95508100  0.80365200  1
  Li  Li4  1  0.35596200  0.24975000  0.78660300  1
  Mn  Mn5  1  0.48805600  0.49539000  0.02291900  1
  Mn  Mn6  1  0.98848600  0.00452500  0.02330900  1
  Cu  Cu7  1  0.50753900  0.24997600  0.48514100  1
  Cu  Cu8  1  0.50489300  0.74991700  0.49019200  1
  Cu  Cu9  1  0.00449500  0.25002700  0.49072100  1
  S  S10  1  0.18498700  0.00658100  0.64458200  1
  S  S11  1  0.66928200  0.49338500  0.64507800  1
  S  S12  1  0.33398100  0.49099700  0.34919100  1
  S  S13  1  0.81660600  0.00882100  0.34918600  1
  O  O14  1  0.24952500  0.24955100  0.00056600  1
  O  O15  1  0.75031500  0.75043400  0.99938100  1
  O  O16  1  0.75129800  0.25037100  0.99700600  1
  O  O17  1  0.24785200  0.74969800  0.00434900  1
