# generated using pymatgen
data_Ca3MnH3(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22625010
_cell_length_b   9.22625010
_cell_length_c   10.77970800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3MnH3(SO7)2
_chemical_formula_sum   'Ca6 Mn2 H6 S4 O28'
_cell_volume   794.67229387
_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  0.27969000  0.13984500  0.25000000  1.0
  Ca  Ca1  1  0.86015500  0.13984500  0.25000000  1.0
  Ca  Ca2  1  0.13984500  0.27969000  0.75000000  1.0
  Ca  Ca3  1  0.86015500  0.72031000  0.25000000  1.0
  Ca  Ca4  1  0.13984500  0.86015500  0.75000000  1.0
  Ca  Ca5  1  0.72031000  0.86015500  0.75000000  1.0
  Mn  Mn6  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn7  1  0.00000000  0.00000000  0.50000000  1.0
  H  H8  1  0.07568400  0.53784200  0.25000000  1.0
  H  H9  1  0.46215800  0.53784200  0.25000000  1.0
  H  H10  1  0.53784200  0.07568400  0.75000000  1.0
  H  H11  1  0.46215800  0.92431600  0.25000000  1.0
  H  H12  1  0.53784200  0.46215800  0.75000000  1.0
  H  H13  1  0.92431600  0.46215800  0.75000000  1.0
  S  S14  1  0.33333300  0.66666700  0.55981000  1.0
  S  S15  1  0.33333300  0.66666700  0.94019000  1.0
  S  S16  1  0.66666700  0.33333300  0.44019000  1.0
  S  S17  1  0.66666700  0.33333300  0.05981000  1.0
  O  O18  1  0.33333300  0.66666700  0.07751600  1.0
  O  O19  1  0.33333300  0.66666700  0.42248400  1.0
  O  O20  1  0.66666700  0.33333300  0.92248400  1.0
  O  O21  1  0.66666700  0.33333300  0.57751600  1.0
  O  O22  1  0.08622600  0.17245100  0.11831700  1.0
  O  O23  1  0.82754900  0.91377400  0.11831700  1.0
  O  O24  1  0.08622600  0.17245100  0.38168300  1.0
  O  O25  1  0.17245100  0.08622600  0.88168300  1.0
  O  O26  1  0.08622600  0.91377400  0.11831700  1.0
  O  O27  1  0.82754900  0.91377400  0.38168300  1.0
  O  O28  1  0.91377400  0.82754900  0.88168300  1.0
  O  O29  1  0.17245100  0.08622600  0.61831700  1.0
  O  O30  1  0.08622600  0.91377400  0.38168300  1.0
  O  O31  1  0.91377400  0.82754900  0.61831700  1.0
  O  O32  1  0.91377400  0.08622600  0.88168300  1.0
  O  O33  1  0.91377400  0.08622600  0.61831700  1.0
  O  O34  1  0.49155300  0.24577600  0.10639400  1.0
  O  O35  1  0.75422400  0.24577600  0.10639400  1.0
  O  O36  1  0.49155300  0.24577600  0.39360600  1.0
  O  O37  1  0.24577600  0.49155300  0.89360600  1.0
  O  O38  1  0.75422400  0.50844700  0.10639400  1.0
  O  O39  1  0.75422400  0.24577600  0.39360600  1.0
  O  O40  1  0.24577600  0.75422400  0.89360600  1.0
  O  O41  1  0.24577600  0.49155300  0.60639400  1.0
  O  O42  1  0.75422400  0.50844700  0.39360600  1.0
  O  O43  1  0.24577600  0.75422400  0.60639400  1.0
  O  O44  1  0.50844700  0.75422400  0.89360600  1.0
  O  O45  1  0.50844700  0.75422400  0.60639400  1.0