data_[Mn6Si6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3217]
_cell_length_b [3.6182]
_cell_length_c [10.9359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnSiRh]
_chemical_formula_sum '[Mn6 Si6 Rh6]'
_cell_volume [250.0360]
_cell_formula_units_Z [6]
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
[
  Mn  Mn0  2  0.0183  0.2500  0.7125  1.0
  Mn  Mn1  2  0.3563  0.7500  0.0762  1.0
  Mn  Mn2  2  0.4621  0.7500  0.3862  1.0
  Si  Si3  2  0.2368  0.7500  0.5884  1.0
  Si  Si4  2  0.2390  0.2500  0.9177  1.0
  Si  Si5  2  0.2745  0.2500  0.2538  1.0
  Rh  Rh6  2  0.0210  0.2500  0.0968  1.0
  Rh  Rh7  2  0.1558  0.2500  0.4576  1.0
  Rh  Rh8  2  0.3666  0.7500  0.7934  1.0
]