# generated using pymatgen
data_KCaNi2H3(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77361809
_cell_length_b   5.77697757
_cell_length_c   8.76212024
_cell_angle_alpha   69.99217340
_cell_angle_beta   69.93086608
_cell_angle_gamma   71.91618196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaNi2H3(SeO5)2
_chemical_formula_sum   'K1 Ca1 Ni2 H3 Se2 O10'
_cell_volume   251.69635071
_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
  K  K0  1  0.68755800  0.31793600  0.49841900  1.0
  Ca  Ca1  1  0.19769900  0.78973400  0.50322200  1.0
  Ni  Ni2  1  0.96052500  0.50421700  0.00122900  1.0
  Ni  Ni3  1  0.49558400  0.02336000  0.99908700  1.0
  H  H4  1  0.64780300  0.68771000  0.81367900  1.0
  H  H5  1  0.32061000  0.33349400  0.18974700  1.0
  H  H6  1  0.45034200  0.51994100  0.00813000  1.0
  Se  Se7  1  0.93686100  0.92256000  0.21818800  1.0
  Se  Se8  1  0.07411000  0.05864400  0.78328500  1.0
  O  O9  1  0.83029400  0.80093800  0.43574700  1.0
  O  O10  1  0.19452900  0.16427700  0.56574000  1.0
  O  O11  1  0.26771300  0.89332100  0.22670800  1.0
  O  O12  1  0.79199100  0.23790200  0.19944200  1.0
  O  O13  1  0.75718000  0.19691400  0.80157600  1.0
  O  O14  1  0.11759600  0.72436200  0.77877500  1.0
  O  O15  1  0.60938400  0.67711700  0.93282100  1.0
  O  O16  1  0.32068200  0.38558100  0.07148400  1.0
  O  O17  1  0.76365300  0.78264600  0.14325800  1.0
  O  O18  1  0.20936100  0.23187200  0.86046100  1.0