# generated using pymatgen
data_CaTb(NiH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60358642
_cell_length_b   4.76023867
_cell_length_c   6.07506209
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.27861433
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb(NiH4)2
_chemical_formula_sum   'Ca1 Tb1 Ni2 H8'
_cell_volume   99.50832706
_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  0.63451535  0.25000000  0.26930375  1.0
  Tb  Tb1  1  0.36846663  0.75000100  0.73683741  1.0
  Ni  Ni2  1  0.09375459  0.75000100  0.18818529  1.0
  Ni  Ni3  1  0.90447863  0.25000000  0.80718917  1.0
  H  H4  1  0.99877214  0.99631875  0.99772331  1.0
  H  H5  1  0.99877214  0.50368225  0.99772331  1.0
  H  H6  1  0.58223100  0.75000100  0.16475509  1.0
  H  H7  1  0.19169067  0.98189202  0.38403471  1.0
  H  H8  1  0.19169067  0.51810898  0.38403471  1.0
  H  H9  1  0.81296948  0.50340488  0.62549985  1.0
  H  H10  1  0.81296948  0.99659412  0.62549985  1.0
  H  H11  1  0.40968923  0.25000000  0.81921354  1.0