data_LaFe5H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe5H7
_chemical_formula_sum   'La2 Fe10 H14'
_cell_volume   218.75
_cell_formula_units_Z   2
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
  La  La24  1  0.89  0.0  0.08  1.0
  La  La25  1  0.89  0.0  0.0  1.0
  Fe  Fe0  1  0.84  0.21  0.08  1.0
  Fe  Fe1  1  0.94  0.79  0.08  1.0
  Fe  Fe2  1  0.45  0.68  0.97  1.0
  Fe  Fe3  1  0.0  0.0  0.12  1.0
  Fe  Fe4  1  0.45  0.32  0.26  1.0
  Fe  Fe5  1  0.94  0.21  0.0  1.0
  Fe  Fe6  1  0.84  0.79  0.0  1.0
  Fe  Fe7  1  0.45  0.32  0.9  1.0
  Fe  Fe8  1  0.0  0.0  0.04  1.0
  Fe  Fe9  1  0.45  0.68  0.18  1.0
  H  H10  1  0.45  0.68  0.08  1.0
  H  H11  1  0.14  0.96  0.31  1.0
  H  H12  1  0.64  0.04  0.31  1.0
  H  H13  1  0.89  0.45  0.12  1.0
  H  H14  1  0.89  0.55  0.12  1.0
  H  H15  1  0.14  0.04  0.92  1.0
  H  H16  1  0.64  0.96  0.92  1.0
  H  H17  1  0.45  0.32  0.0  1.0
  H  H18  1  0.14  0.04  0.23  1.0
  H  H19  1  0.64  0.96  0.23  1.0
  H  H20  1  0.89  0.45  0.04  1.0
  H  H21  1  0.89  0.55  0.04  1.0
  H  H22  1  0.14  0.96  0.84  1.0
  H  H23  1  0.64  0.04  0.84  1.0

data_LaFe5H7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe5H7
_chemical_formula_sum   'La2 Fe10 H14'
_cell_volume   218.75
_cell_formula_units_Z   2
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
  La  La0  1  0.89  0.0  0.0  1.0
  La  La1  1  0.89  0.0  0.08  1.0
  Fe  Fe2  1  0.0  0.0  0.04  1.0
  Fe  Fe3  1  0.0  0.0  0.12  1.0
  Fe  Fe4  1  0.45  0.32  0.26  1.0
  Fe  Fe5  1  0.45  0.32  0.9  1.0
  Fe  Fe6  1  0.45  0.68  0.18  1.0
  Fe  Fe7  1  0.45  0.68  0.97  1.0
  Fe  Fe8  1  0.84  0.21  0.08  1.0
  Fe  Fe9  1  0.84  0.79  0.0  1.0
  Fe  Fe10  1  0.94  0.21  0.0  1.0
  Fe  Fe11  1  0.94  0.79  0.08  1.0
  H  H12  1  0.14  0.04  0.23  1.0
  H  H13  1  0.14  0.04  0.92  1.0
  H  H14  1  0.14  0.96  0.31  1.0
  H  H15  1  0.14  0.96  0.84  1.0
  H  H16  1  0.45  0.32  0.0  1.0
  H  H17  1  0.45  0.68  0.08  1.0
  H  H18  1  0.64  0.04  0.31  1.0
  H  H19  1  0.64  0.04  0.84  1.0
  H  H20  1  0.64  0.96  0.23  1.0
  H  H21  1  0.64  0.96  0.92  1.0
  H  H22  1  0.89  0.45  0.04  1.0
  H  H23  1  0.89  0.45  0.12  1.0
  H  H24  1  0.89  0.55  0.04  1.0
  H  H25  1  0.89  0.55  0.12  1.0

La La Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe H H H H H H H H H H H H H H
La La Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe H H H H H H H H H H H H H H 0 10 + o o 0 1 o o o 0 5 + o o 1 10 + o o 2 7 o o o 3 8 o o o 4 12 o o + 5 10 o o o 6 20 o o o 6 13 o - o 6 11 o o o 6 19 o o o 9 19 o o + 11 12 o o o 13 20 o + o 14 21 o - o 15 16 o o o 15 22 o o o 16 23 o o o 17 24 o - o 18 25 o + o 22 23 o o o 