data_[La12Ge4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [6.5702]
_cell_length_b [8.3094]
_cell_length_c [11.5530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Ge2C]
_chemical_formula_sum '[La12 Ge4 C2]'
_cell_volume [533.9338]
_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
[
  La  La0  4  0.1134  0.6560  0.9482  1
  La  La1  4  0.3127  0.2094  0.9477  1
  La  La2  4  0.3613  0.5359  0.7472  1
  Ge  Ge3  4  0.1907  0.6127  0.2601  1
  C  C4  2  0.5000  0.0000  0.5000  1
]