# generated using pymatgen
data_Ca3MnS2O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60879374
_cell_length_b   8.62565912
_cell_length_c   10.64847800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.93533883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3MnS2O17
_chemical_formula_sum   'Ca6 Mn2 S4 O34'
_cell_volume   685.22842102
_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
  Ca  Ca0  1  0.30838600  0.15057500  0.25000000  1.0
  Ca  Ca1  1  0.84127200  0.69128000  0.25000000  1.0
  Ca  Ca2  1  0.85086500  0.15937800  0.25000000  1.0
  Ca  Ca3  1  0.15781000  0.84942500  0.75000000  1.0
  Ca  Ca4  1  0.14999200  0.30872000  0.75000000  1.0
  Ca  Ca5  1  0.69148700  0.84062200  0.75000000  1.0
  Mn  Mn6  1  0.00031800  0.00000000  0.00000000  1.0
  Mn  Mn7  1  0.00031800  0.00000000  0.50000000  1.0
  S  S8  1  0.66679000  0.33339100  0.02280200  1.0
  S  S9  1  0.66679000  0.33339100  0.47719800  1.0
  S  S10  1  0.33340000  0.66660900  0.52280200  1.0
  S  S11  1  0.33340000  0.66660900  0.97719800  1.0
  O  O12  1  0.66670600  0.33340400  0.88391200  1.0
  O  O13  1  0.66670600  0.33340400  0.61608800  1.0
  O  O14  1  0.33330200  0.66659600  0.38391200  1.0
  O  O15  1  0.33330200  0.66659600  0.11608800  1.0
  O  O16  1  0.50079600  0.98501100  0.25000000  1.0
  O  O17  1  0.48443500  0.49935500  0.25000000  1.0
  O  O18  1  0.01498500  0.51585600  0.25000000  1.0
  O  O19  1  0.51578600  0.01498900  0.75000000  1.0
  O  O20  1  0.98508000  0.50064500  0.75000000  1.0
  O  O21  1  0.49912900  0.48414400  0.75000000  1.0
  O  O22  1  0.09260900  0.18422000  0.11616400  1.0
  O  O23  1  0.09058000  0.90746500  0.11493000  1.0
  O  O24  1  0.81673900  0.90860200  0.11494300  1.0
  O  O25  1  0.09260900  0.18422000  0.38383600  1.0
  O  O26  1  0.09058000  0.90746500  0.38507000  1.0
  O  O27  1  0.81673900  0.90860200  0.38505700  1.0
  O  O28  1  0.90838900  0.81578000  0.61616400  1.0
  O  O29  1  0.18311400  0.09253500  0.61493000  1.0
  O  O30  1  0.90813700  0.09139800  0.61494300  1.0
  O  O31  1  0.90838900  0.81578000  0.88383600  1.0
  O  O32  1  0.18311400  0.09253500  0.88507000  1.0
  O  O33  1  0.90813700  0.09139800  0.88505700  1.0
  O  O34  1  0.47982200  0.25628400  0.07118800  1.0
  O  O35  1  0.77624900  0.51993200  0.07129900  1.0
  O  O36  1  0.74384100  0.22368300  0.07117600  1.0
  O  O37  1  0.47982200  0.25628400  0.42881200  1.0
  O  O38  1  0.77624900  0.51993200  0.42870100  1.0
  O  O39  1  0.74384100  0.22368300  0.42882400  1.0
  O  O40  1  0.22353800  0.74371600  0.57118800  1.0
  O  O41  1  0.25631700  0.48006800  0.57129900  1.0
  O  O42  1  0.52015800  0.77631700  0.57117600  1.0
  O  O43  1  0.22353800  0.74371600  0.92881200  1.0
  O  O44  1  0.25631700  0.48006800  0.92870100  1.0
  O  O45  1  0.52015800  0.77631700  0.92882400  1.0