data_[Nd4Co3Ge8]
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 [Pmm2]
_cell_length_a [4.1994]
_cell_length_b [4.2558]
_cell_length_c [16.6097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4Co3Ge8]
_chemical_formula_sum '[Nd4 Co3 Ge8]'
_cell_volume [296.8480]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1046  1.0
  Nd  Nd1  1  0.0000  0.5000  0.6067  1.0
  Nd  Nd2  1  0.5000  0.0000  0.8929  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3905  1.0
  Co  Co4  1  0.0000  0.5000  0.8176  1.0
  Co  Co5  1  0.5000  0.0000  0.6835  1.0
  Co  Co6  1  0.5000  0.5000  0.1867  1.0
  Ge  Ge7  1  0.0000  0.0000  0.4512  1.0
  Ge  Ge8  1  0.0000  0.0000  0.7503  1.0
  Ge  Ge9  1  0.0000  0.5000  0.2517  1.0
  Ge  Ge10  1  0.0000  0.5000  0.9551  1.0
  Ge  Ge11  1  0.5000  0.0000  0.2524  1.0
  Ge  Ge12  1  0.5000  0.0000  0.5451  1.0
  Ge  Ge13  1  0.5000  0.5000  0.0467  1.0
  Ge  Ge14  1  0.5000  0.5000  0.7497  1.0
]