# generated using pymatgen
data_CaNi5H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03483898
_cell_length_b   5.03483898
_cell_length_c   3.93292200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.48159369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi5H
_chemical_formula_sum   'Ca1 Ni5 H1'
_cell_volume   84.10165605
_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  0.00671400  1.0
  Ni  Ni1  1  0.67948500  0.32051500  0.00238600  1.0
  Ni  Ni2  1  0.32051500  0.67948500  0.00238600  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.50950300  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.50534500  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.50534500  1.0
  H  H6  1  0.50000000  0.50000000  0.08536600  1.0