data_[Y12Ge4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3149]
_cell_length_b [7.6864]
_cell_length_c [11.2528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y6Ge2C]
_chemical_formula_sum '[Y12 Ge4 C2]'
_cell_volume [457.5805]
_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
[
  Y  Y0  4  0.1184  0.6629  0.9436  1
  Y  Y1  4  0.2999  0.2031  0.9464  1
  Y  Y2  4  0.3693  0.5330  0.7520  1
  Ge  Ge3  4  0.1913  0.6127  0.2562  1
  C  C4  2  0.5000  0.0000  0.5000  1
]