# generated using pymatgen
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94198901
_cell_length_b   5.02683344
_cell_length_c   7.81957700
_cell_angle_alpha   89.99895449
_cell_angle_beta   90.00135385
_cell_angle_gamma   119.41993377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni10H
_chemical_formula_sum   'Ca2 Ni10 H1'
_cell_volume   169.20730559
_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  0.00342700  0.99999400  0.99713800  1.0
  Ca  Ca1  1  0.00348800  0.99999500  0.49683600  1.0
  Ni  Ni2  1  0.31908600  0.63131400  0.99848700  1.0
  Ni  Ni3  1  0.68776100  0.36866400  0.99848500  1.0
  Ni  Ni4  1  0.50356600  0.00001100  0.75034800  1.0
  Ni  Ni5  1  0.50355000  0.50006400  0.74170900  1.0
  Ni  Ni6  1  0.00346300  0.49997000  0.74170200  1.0
  Ni  Ni7  1  0.34358300  0.68027300  0.49738500  1.0
  Ni  Ni8  1  0.66330100  0.31971400  0.49736400  1.0
  Ni  Ni9  1  0.50354800  0.00002300  0.24296000  1.0
  Ni  Ni10  1  0.50360800  0.50008500  0.25297300  1.0
  Ni  Ni11  1  0.00348200  0.49991000  0.25298200  1.0
  H  H12  1  0.50323700  0.99998300  0.97313000  1.0