# generated using pymatgen
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96071007
_cell_length_b   4.95301637
_cell_length_c   7.83333752
_cell_angle_alpha   89.63834675
_cell_angle_beta   89.64271790
_cell_angle_gamma   60.54905745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni10H
_chemical_formula_sum   'Ca2 Ni10 H1'
_cell_volume   167.59302321
_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  0.99307800  0.99311600  0.98804600  1.0
  Ca  Ca1  1  0.00211600  0.00216200  0.50196000  1.0
  Ni  Ni2  1  0.33820700  0.33830200  0.00075700  1.0
  Ni  Ni3  1  0.66016500  0.66014900  0.00146800  1.0
  Ni  Ni4  1  0.50130800  0.50132700  0.25636900  1.0
  Ni  Ni5  1  0.99340300  0.51301700  0.25744200  1.0
  Ni  Ni6  1  0.51301300  0.99338600  0.25745300  1.0
  Ni  Ni7  1  0.33522800  0.33527200  0.50487700  1.0
  Ni  Ni8  1  0.66863900  0.66858100  0.50438500  1.0
  Ni  Ni9  1  0.49920100  0.49924300  0.75082500  1.0
  Ni  Ni10  1  0.99894800  0.49811800  0.75251900  1.0
  Ni  Ni11  1  0.49811400  0.99897100  0.75252400  1.0
  H  H12  1  0.20248000  0.20255600  0.14857500  1.0