data_LiMgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   147.11
_cell_angle_beta   130.91
_cell_angle_gamma   60.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgRh2
_chemical_formula_sum   'Li1 Mg1 Rh2'
_cell_volume   58.05
_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
  Li  Li0  1  0.0  0.0  0.43  1.0
  Mg  Mg1  1  0.0  0.17  0.29  1.0
  Rh  Rh2  1  0.0  0.0  0.08  1.0
  Rh  Rh3  1  0.48  0.0  0.24  1.0

data_LiMgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.34
_cell_length_c   5.23
_cell_angle_alpha   114.54
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgRh2
_chemical_formula_sum   'Li1 Mg1 Rh2'
_cell_volume   58.05
_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
  Li  Li0  1  0.0  0.43  0.43  1.0
  Mg  Mg1  1  0.83  0.12  0.12  1.0
  Rh  Rh2  1  0.0  0.08  0.08  1.0
  Rh  Rh3  1  0.0  0.24  0.76  1.0

Li Mg Rh Rh
Li Mg Rh Rh 0 1 o o o 0 2 o o o 0 3 - o o 1 2 o o o 1 3 o o o 2 3 o o o 