data_[Y2Zr2Fe4Ge4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4732]
_cell_length_b [3.8522]
_cell_length_c [6.6763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YZrFe2Ge2C]
_chemical_formula_sum '[Y2 Zr2 Fe4 Ge4 C2]'
_cell_volume [213.6525]
_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  2  0.4405  0.0000  0.7092  1
  Zr  Zr1  2  0.0568  0.5000  0.2839  1
  Fe  Fe2  2  0.1977  0.0000  0.0873  1
  Fe  Fe3  2  0.3032  0.5000  0.9135  1
  Ge  Ge4  2  0.1581  0.0000  0.6927  1
  Ge  Ge5  2  0.3398  0.5000  0.2991  1
  C  C6  2  0.0039  0.0000  0.0144  1
]