data_Rb3MgH5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3MgH5
_chemical_formula_sum   'Rb12 Mg4 H20'
_cell_volume   803.23
_cell_formula_units_Z   4
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
  Rb  Rb0  1  0.0  0.04  0.02  1.0
  Rb  Rb1  1  0.04  0.0  0.15  1.0
  Rb  Rb2  1  0.04  0.0  0.31  1.0
  Rb  Rb3  1  0.0  0.04  0.18  1.0
  Rb  Rb4  1  0.55  0.55  0.25  1.0
  Rb  Rb5  1  0.56  0.51  0.25  1.0
  Rb  Rb6  1  0.51  0.56  0.25  1.0
  Rb  Rb7  1  0.53  0.53  0.25  1.0
  Rb  Rb8  1  0.56  0.56  0.08  1.0
  Rb  Rb9  1  0.55  0.53  0.08  1.0
  Rb  Rb10  1  0.53  0.55  0.08  1.0
  Rb  Rb11  1  0.51  0.51  0.08  1.0
  Mg  Mg12  1  0.0  0.0  0.16  1.0
  Mg  Mg13  1  0.04  0.04  0.16  1.0
  Mg  Mg14  1  0.04  0.04  0.0  1.0
  Mg  Mg15  1  0.0  0.0  0.0  1.0
  H  H16  1  0.0  0.04  0.99  1.0
  H  H17  1  0.04  0.0  0.5  1.0
  H  H18  1  0.04  0.0  0.34  1.0
  H  H19  1  0.0  0.04  0.82  1.0
  H  H20  1  0.23  0.27  0.3  1.0
  H  H21  1  0.84  0.8  0.3  1.0
  H  H22  1  0.27  0.23  0.2  1.0
  H  H23  1  0.24  0.8  0.3  1.0
  H  H24  1  0.84  0.27  0.3  1.0
  H  H25  1  0.8  0.24  0.2  1.0
  H  H26  1  0.27  0.84  0.2  1.0
  H  H27  1  0.8  0.84  0.2  1.0
  H  H28  1  0.8  0.84  0.03  1.0
  H  H29  1  0.27  0.24  0.03  1.0
  H  H30  1  0.84  0.8  0.13  1.0
  H  H31  1  0.8  0.23  0.03  1.0
  H  H32  1  0.24  0.27  0.13  1.0
  H  H33  1  0.84  0.27  0.13  1.0
  H  H34  1  0.23  0.8  0.13  1.0
  H  H35  1  0.27  0.84  0.03  1.0

data_Rb3MgH5
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3MgH5
_chemical_formula_sum   'Rb12 Mg4 H20'
_cell_volume   803.23
_cell_formula_units_Z   4
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
  Rb  Rb0  1  0.0  0.04  0.02  1.0
  Rb  Rb1  1  0.0  0.04  0.18  1.0
  Rb  Rb2  1  0.04  0.0  0.15  1.0
  Rb  Rb3  1  0.04  0.0  0.31  1.0
  Rb  Rb4  1  0.51  0.51  0.08  1.0
  Rb  Rb5  1  0.51  0.56  0.25  1.0
  Rb  Rb6  1  0.53  0.53  0.25  1.0
  Rb  Rb7  1  0.53  0.55  0.08  1.0
  Rb  Rb8  1  0.55  0.53  0.08  1.0
  Rb  Rb9  1  0.55  0.55  0.25  1.0
  Rb  Rb10  1  0.56  0.51  0.25  1.0
  Rb  Rb11  1  0.56  0.56  0.08  1.0
  Mg  Mg12  1  0.0  0.0  0.0  1.0
  Mg  Mg13  1  0.0  0.0  0.16  1.0
  Mg  Mg14  1  0.04  0.04  0.0  1.0
  Mg  Mg15  1  0.04  0.04  0.16  1.0
  H  H16  1  0.0  0.04  0.82  1.0
  H  H17  1  0.0  0.04  0.99  1.0
  H  H18  1  0.04  0.0  0.34  1.0
  H  H19  1  0.04  0.0  0.5  1.0
  H  H20  1  0.23  0.27  0.3  1.0
  H  H21  1  0.23  0.8  0.13  1.0
  H  H22  1  0.24  0.27  0.13  1.0
  H  H23  1  0.24  0.8  0.3  1.0
  H  H24  1  0.27  0.24  0.03  1.0
  H  H25  1  0.27  0.84  0.2  1.0
  H  H26  1  0.27  0.23  0.2  1.0
  H  H27  1  0.27  0.84  0.03  1.0
  H  H28  1  0.8  0.23  0.03  1.0
  H  H29  1  0.8  0.84  0.2  1.0
  H  H30  1  0.8  0.24  0.2  1.0
  H  H31  1  0.8  0.84  0.03  1.0
  H  H32  1  0.84  0.27  0.3  1.0
  H  H33  1  0.84  0.8  0.13  1.0
  H  H34  1  0.84  0.27  0.13  1.0
  H  H35  1  0.84  0.8  0.3  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Mg Mg Mg Mg H H H H H H H H H H H H H H H H H H H H
Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Mg Mg Mg Mg H H H H H H H H H H H H H H H H H H H H 0 15 o o o 0 16 o o - 0 14 o o o 0 19 o o - 1 12 o o o 1 13 o o o 2 18 o o o 2 17 o o o 3 12 o o o 3 13 o o o 4 7 o o o 4 5 o o o 4 6 o o o 5 7 o o o 6 7 o o o 8 10 o o o 8 9 o o o 9 10 o o o 9 11 o o o 10 11 o o o 12 13 o o o 14 16 o o - 14 19 o o - 15 16 o o - 15 19 o o - 16 19 o o o 17 18 o o o 20 22 o o o 21 27 o o o 22 32 o o o 23 26 o o o 24 25 o o o 25 33 o o o 26 34 o o o 27 30 o o o 28 30 o o o 29 32 o o o 31 33 o o o 34 35 o o o 