data_[Yb6Mn6Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3554]
_cell_length_b [11.6914]
_cell_length_c [6.7399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YbMnSi]
_chemical_formula_sum '[Yb6 Mn6 Si6]'
_cell_volume [343.2004]
_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
[
  Yb  Yb0  4  0.5000  0.2178  0.7825  1
  Yb  Yb1  2  0.5000  0.0000  0.4362  1
  Mn  Mn2  4  0.0000  0.1185  0.1101  1
  Mn  Mn3  2  0.0000  0.0000  0.7754  1
  Si  Si4  4  0.0000  0.1658  0.5008  1
  Si  Si5  2  0.5000  0.0000  0.0014  1
]