data_Mg2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   138.41
_cell_angle_beta   130.24
_cell_angle_gamma   66.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlRh
_chemical_formula_sum   'Mg2 Tl1 Rh1'
_cell_volume   75.24
_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
  Mg  Mg0  1  0.0  0.24  0.4  1.0
  Mg  Mg1  1  0.89  0.0  0.05  1.0
  Tl  Tl3  1  0.0  0.0  0.44  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Mg2TlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.48
_cell_length_c   5.32
_cell_angle_alpha   114.88
_cell_angle_beta   110.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlRh
_chemical_formula_sum   'Mg2 Tl1 Rh1'
_cell_volume   75.24
_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
  Mg  Mg0  1  0.6  0.84  0.84  1.0
  Mg  Mg1  1  0.84  0.95  0.84  1.0
  Tl  Tl2  1  0.56  0.56  0.56  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Mg Mg Tl Rh