data_NdCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCoGe2
_chemical_formula_sum   'Nd2 Co2 Ge4'
_cell_volume   149.22
_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  Nd6  1  0.12  0.46  0.16  1.0
  Nd  Nd7  1  0.12  0.54  0.05  1.0
  Co  Co0  1  0.12  0.04  0.05  1.0
  Co  Co1  1  0.12  0.96  0.16  1.0
  Ge  Ge2  1  0.12  0.76  0.05  1.0
  Ge  Ge3  1  0.12  0.17  0.16  1.0
  Ge  Ge4  1  0.12  0.83  0.05  1.0
  Ge  Ge5  1  0.12  0.24  0.16  1.0

data_NdCoGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.22
_cell_length_b   4.25
_cell_length_c   8.6
_cell_angle_alpha   104.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdCoGe2
_chemical_formula_sum   'Nd2 Co2 Ge4'
_cell_volume   149.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.05  0.54  0.54  1.0
  Co  Co1  2  0.05  0.04  0.04  1.0
  Ge  Ge2  2  0.05  0.76  0.76  1.0
  Ge  Ge3  2  0.05  0.83  0.83  1.0

Nd Nd Co Co Ge Ge Ge Ge