data_[Nd16Co2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6541]
_cell_length_b [4.5643]
_cell_length_c [7.5562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8CoGe2]
_chemical_formula_sum '[Nd16 Co2 Ge4]'
_cell_volume [636.0852]
_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
[
  Nd  Nd0  4  0.0073  0.0000  0.7845  1.0
  Nd  Nd1  4  0.0966  0.5000  0.5128  1.0
  Nd  Nd2  4  0.1498  0.5000  0.0116  1.0
  Nd  Nd3  4  0.2166  0.0000  0.3455  1.0
  Co  Co4  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge5  4  0.1817  0.0000  0.7554  1.0
]