data_[Mg4Mn4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1421]
_cell_length_b [2.8859]
_cell_length_c [7.9076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgMnRh]
_chemical_formula_sum '[Mg4 Mn4 Rh4]'
_cell_volume [178.8390]
_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  4  0.2035  0.5000  0.8169  1
  Mn  Mn1  4  0.1580  0.5000  0.3767  1
  Rh  Rh2  2  0.0000  0.0000  0.5000  1
  Rh  Rh3  2  0.0000  0.5000  0.0000  1
]