# generated using pymatgen
data_Sr4CaMn2Cu3(SO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14814461
_cell_length_b   6.17867143
_cell_length_c   9.41613367
_cell_angle_alpha   92.43331593
_cell_angle_beta   71.06439017
_cell_angle_gamma   97.81002815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4CaMn2Cu3(SO)4
_chemical_formula_sum   'Sr4 Ca1 Mn2 Cu3 S4 O4'
_cell_volume   335.19818198
_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  0.32741700  0.07351200  0.19425700  1.0
  Sr  Sr1  1  0.98868000  0.43418900  0.19409900  1.0
  Sr  Sr2  1  0.08495900  0.51047600  0.80775300  1.0
  Sr  Sr3  1  0.60451400  0.98836100  0.80957600  1.0
  Ca  Ca4  1  0.64603900  0.74406300  0.19982600  1.0
  Mn  Mn5  1  0.52626600  0.49212500  0.94194700  1.0
  Mn  Mn6  1  0.02987600  0.00577800  0.94475400  1.0
  Cu  Cu7  1  0.49586700  0.24776000  0.51653300  1.0
  Cu  Cu8  1  0.48296900  0.75376100  0.53008400  1.0
  Cu  Cu9  1  0.99059500  0.24717300  0.51459100  1.0
  S  S10  1  0.18220600  0.99790800  0.66168200  1.0
  S  S11  1  0.65309700  0.50565300  0.66094100  1.0
  S  S12  1  0.31318000  0.47915300  0.39504300  1.0
  S  S13  1  0.79273100  0.01970200  0.38863800  1.0
  O  O14  1  0.25110500  0.24986400  0.99629000  1.0
  O  O15  1  0.77158900  0.74971700  0.95646600  1.0
  O  O16  1  0.74963000  0.25072700  0.99634900  1.0
  O  O17  1  0.24469500  0.75007500  0.01260200  1.0