data_[Er2Zr2Fe4Ge4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [10.4308]
_cell_length_b [3.8370]
_cell_length_c [6.6359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.3729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ErZrFe2Ge2C]
_chemical_formula_sum '[Er2 Zr2 Fe4 Ge4 C2]'
_cell_volume [211.0637]
_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
[
  Er  Er0  2  0.0584  0.5000  0.2884  1
  Zr  Zr1  2  0.4428  0.0000  0.7152  1
  Fe  Fe2  2  0.1978  0.0000  0.0880  1
  Fe  Fe3  2  0.3022  0.5000  0.9127  1
  Ge  Ge4  2  0.1592  0.0000  0.6978  1
  Ge  Ge5  2  0.3423  0.5000  0.3088  1
  C  C6  2  0.4973  0.5000  0.9891  1
]