data_LiMgH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   56.35
_cell_angle_beta   56.35
_cell_angle_gamma   56.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgH3
_chemical_formula_sum   'Li2 Mg2 H6'
_cell_volume   86.34
_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
  Li  Li6  1  0.0  0.0  0.16  1.0
  Li  Li7  1  0.0  0.0  0.73  1.0
  Mg  Mg8  1  0.0  0.0  0.46  1.0
  Mg  Mg9  1  0.0  0.0  0.03  1.0
  H  H0  1  0.7  0.26  0.08  1.0
  H  H1  1  0.56  0.97  0.08  1.0
  H  H2  1  0.74  0.77  0.08  1.0
  H  H3  1  0.71  0.87  0.23  1.0
  H  H4  1  0.03  0.58  0.23  1.0
  H  H5  1  0.26  0.55  0.23  1.0

data_LiMgH3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.11
_cell_angle_alpha   61.83
_cell_angle_beta   61.83
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgH3
_chemical_formula_sum   'Li2 Mg2 H6'
_cell_volume   86.34
_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
  Li  Li0  1  0.0  0.27  0.73  1.0
  Li  Li1  1  0.0  0.84  0.16  1.0
  Mg  Mg2  1  0.0  0.54  0.46  1.0
  Mg  Mg3  1  0.0  0.97  0.03  1.0
  H  H4  1  0.03  0.92  0.62  1.0
  H  H5  1  0.13  0.77  0.81  1.0
  H  H6  1  0.23  0.92  0.59  1.0
  H  H7  1  0.42  0.77  0.84  1.0
  H  H8  1  0.45  0.77  0.03  1.0
  H  H9  1  0.74  0.92  0.04  1.0

Li Li Mg Mg H H H H H H