# generated using pymatgen
data_CuSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39198021
_cell_length_b   5.62082159
_cell_length_c   8.18952891
_cell_angle_alpha   119.34779354
_cell_angle_beta   116.08415053
_cell_angle_gamma   90.30856560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSO5
_chemical_formula_sum   'Cu2 S2 O10'
_cell_volume   186.41918695
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0
  S  S2  1  0.40550600  0.06572000  0.75469000  1.0
  S  S3  1  0.59449400  0.93428000  0.24531000  1.0
  O  O4  1  0.84331600  0.66298300  0.74353400  1.0
  O  O5  1  0.15668400  0.33701700  0.25646600  1.0
  O  O6  1  0.27904000  0.16960900  0.89349600  1.0
  O  O7  1  0.72096000  0.83039100  0.10650400  1.0
  O  O8  1  0.73309600  0.17314900  0.88569100  1.0
  O  O9  1  0.26690400  0.82685100  0.11430900  1.0
  O  O10  1  0.32088900  0.74294700  0.64111700  1.0
  O  O11  1  0.67911100  0.25705300  0.35888300  1.0
  O  O12  1  0.31608000  0.15929700  0.60554500  1.0
  O  O13  1  0.68392000  0.84070300  0.39445500  1.0