data_[Yb6Mg2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Mg  1.3100  1.5000  0.8600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6654]
_cell_length_b [4.8987]
_cell_length_c [13.7983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Yb3MgC4]
_chemical_formula_sum '[Yb6 Mg2 C8]'
_cell_volume [247.7589]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1850  1.0
  Yb  Yb1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  2  0.0000  0.5000  0.5000  1.0
  C  C3  8  0.0000  0.1354  0.3669  1.0
]