data_[Mg8Te4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9387]
_cell_length_b [8.0551]
_cell_length_c [6.9313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2TeRh]
_chemical_formula_sum '[Mg8 Te4 Rh4]'
_cell_volume [338.7078]
_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
[
  Mg  Mg0  8  0.0622  0.3099  0.7999  1
  Te  Te1  4  0.1865  0.0000  0.3985  1
  Rh  Rh2  4  0.2420  0.5000  0.1730  1
]