# generated using pymatgen
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92727367
_cell_length_b   5.03262413
_cell_length_c   7.80746000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.23928461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni10H
_chemical_formula_sum   'Ca2 Ni10 H1'
_cell_volume   168.93509196
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.31425600  0.62848200  0.00000000  1.0
  Ni  Ni3  1  0.68574400  0.37151800  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.75663500  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.74367900  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.74367500  1.0
  Ni  Ni7  1  0.34254500  0.68494600  0.50000000  1.0
  Ni  Ni8  1  0.65745500  0.31505400  0.50000000  1.0
  Ni  Ni9  1  0.50000000  0.00000000  0.24336500  1.0
  Ni  Ni10  1  0.50000000  0.50000000  0.25632100  1.0
  Ni  Ni11  1  0.00000000  0.50000000  0.25632500  1.0
  H  H12  1  0.50000000  0.00000000  0.00000000  1.0