data_Li2MnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.88
_cell_angle_alpha   96.3
_cell_angle_beta   96.3
_cell_angle_gamma   35.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnRh
_chemical_formula_sum   'Li2 Mn1 Rh1'
_cell_volume   52.24
_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  0.48  0.0  0.76  1.0
  Li  Li1  1  0.6  0.0  0.74  1.0
  Mn  Mn2  1  0.83  0.0  0.2  1.0
  Rh  Rh3  1  0.0  0.0  0.42  1.0

data_Li2MnRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.31
_cell_length_c   4.88
_cell_angle_alpha   96.3
_cell_angle_beta   90.0
_cell_angle_gamma   107.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnRh
_chemical_formula_sum   'Li2 Mn1 Rh1'
_cell_volume   52.24
_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  0.4  0.26  1.0
  Li  Li1  1  0.0  0.52  0.24  1.0
  Mn  Mn2  1  0.0  0.17  0.8  1.0
  Rh  Rh3  1  0.0  1.0  0.58  1.0

Li Li Mn Rh
Li Li Mn Rh 0 1 o o o 2 3 + o o 