# generated using pymatgen
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98106403
_cell_length_b   4.98308905
_cell_length_c   7.91419700
_cell_angle_alpha   90.00038123
_cell_angle_beta   90.00000078
_cell_angle_gamma   119.98655691
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni10H
_chemical_formula_sum   'Ca2 Ni10 H1'
_cell_volume   170.14417127
_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
  Ca  Ca0  1  0.99998900  0.99997700  0.00007200  1.0
  Ca  Ca1  1  0.00000900  0.00001800  0.49851100  1.0
  Ni  Ni2  1  0.66667200  0.33334500  0.01215800  1.0
  Ni  Ni3  1  0.33333600  0.66667200  0.00358500  1.0
  Ni  Ni4  1  0.49295500  0.50725200  0.74580800  1.0
  Ni  Ni5  1  0.01429700  0.50725200  0.74580800  1.0
  Ni  Ni6  1  0.49282200  0.98564300  0.74584300  1.0
  Ni  Ni7  1  0.66666500  0.33332900  0.49920200  1.0
  Ni  Ni8  1  0.33335000  0.66670100  0.49671200  1.0
  Ni  Ni9  1  0.49905600  0.50088700  0.25249300  1.0
  Ni  Ni10  1  0.00183100  0.50088700  0.25249300  1.0
  Ni  Ni11  1  0.49908800  0.99817700  0.25247700  1.0
  H  H12  1  0.66652900  0.33305800  0.81023800  1.0