data_Mg7NbH16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7NbH16
_chemical_formula_sum   'Mg7 Nb1 H16'
_cell_volume   198.41
_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
  Mg  Mg16  1  0.31  0.31  0.0  1.0
  Mg  Mg17  1  0.31  0.63  0.31  1.0
  Mg  Mg18  1  0.63  0.31  0.31  1.0
  Mg  Mg19  1  0.31  0.31  0.63  1.0
  Mg  Mg20  1  0.0  0.31  0.31  1.0
  Mg  Mg21  1  0.31  0.0  0.31  1.0
  Mg  Mg22  1  0.0  0.0  0.0  1.0
  Nb  Nb23  1  0.63  0.63  0.63  1.0
  H  H0  1  0.45  0.45  0.18  1.0
  H  H1  1  0.75  0.51  0.51  1.0
  H  H2  1  0.51  0.75  0.51  1.0
  H  H3  1  0.75  0.75  0.75  1.0
  H  H4  1  0.75  0.75  0.51  1.0
  H  H5  1  0.08  0.08  0.08  1.0
  H  H6  1  0.08  0.81  0.81  1.0
  H  H7  1  0.81  0.08  0.81  1.0
  H  H8  1  0.45  0.18  0.45  1.0
  H  H9  1  0.18  0.18  0.18  1.0
  H  H10  1  0.18  0.45  0.45  1.0
  H  H11  1  0.51  0.51  0.75  1.0
  H  H12  1  0.51  0.51  0.51  1.0
  H  H13  1  0.75  0.51  0.75  1.0
  H  H14  1  0.51  0.75  0.75  1.0
  H  H15  1  0.81  0.81  0.08  1.0

data_Mg7NbH16
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   16.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mg7NbH16
_chemical_formula_sum   'Mg21 Nb3 H48'
_cell_volume   595.24
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Mg  Mg0  9  0.1  0.21  0.58  1.0
  Mg  Mg1  9  0.21  0.1  0.79  1.0
  Mg  Mg2  3  0.0  0.0  0.0  1.0
  Nb  Nb3  3  0.0  0.0  0.37  1.0
  H  H4  9  0.08  0.92  0.41  1.0
  H  H5  9  0.09  0.18  0.1  1.0
  H  H6  9  0.16  0.08  0.33  1.0
  H  H7  9  0.18  0.09  0.64  1.0
  H  H8  3  0.0  0.0  0.25  1.0
  H  H9  3  0.0  0.0  0.49  1.0
  H  H10  3  0.0  0.0  0.82  1.0
  H  H11  3  0.0  0.0  0.92  1.0

Mg Mg Mg Mg Mg Mg Mg Nb H H H H H H H H H H H H H H H H