# generated using pymatgen
data_CaSm(NiH4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64440394
_cell_length_b   4.80410048
_cell_length_c   6.13273837
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.31890680
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(NiH4)2
_chemical_formula_sum   'Ca1 Sm1 Ni2 H8'
_cell_volume   102.50450292
_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  0.36523318  0.75000000  0.23052505  1.0
  Sm  Sm1  1  0.63142118  0.24999900  0.76254881  1.0
  Ni  Ni2  1  0.90688723  0.24999900  0.31281501  1.0
  Ni  Ni3  1  0.09488200  0.75000000  0.69007416  1.0
  H  H4  1  0.81043994  0.01710518  0.12099029  1.0
  H  H5  1  0.81043994  0.48289482  0.12099029  1.0
  H  H6  1  0.41640550  0.24999900  0.33295681  1.0
  H  H7  1  0.00084997  0.00355495  0.50173577  1.0
  H  H8  1  0.00084997  0.49644505  0.50173577  1.0
  H  H9  1  0.58788671  0.75000000  0.67605164  1.0
  H  H10  1  0.18735120  0.50465448  0.87478620  1.0
  H  H11  1  0.18735120  0.99534552  0.87478620  1.0