data_[Sc6Ge2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.2426]
_cell_length_b [6.3962]
_cell_length_c [13.6178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sc3GeC]
_chemical_formula_sum '[Sc6 Ge2 C2]'
_cell_volume [282.4373]
_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
[
  Sc  Sc0  4  0.5000  0.2321  0.5634  1
  Sc  Sc1  2  0.0000  0.0000  0.7474  1
  Ge  Ge2  2  0.5000  0.0000  0.9098  1
  C  C3  2  0.0000  0.0000  0.5880  1
]