data_Nb2CoGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.95
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoGe
_chemical_formula_sum   'Nb2 Co1 Ge1'
_cell_volume   61.48
_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
  Nb  Nb2  1  0.23  0.98  0.14  1.0
  Nb  Nb3  1  0.29  0.98  0.31  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.84  0.0  0.73  1.0

data_Nb2CoGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.95
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoGe
_chemical_formula_sum   'Nb2 Co1 Ge1'
_cell_volume   61.48
_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
  Nb  Nb0  1  0.23  0.98  0.14  1.0
  Nb  Nb1  1  0.29  0.98  0.31  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.84  0.0  0.73  1.0

Nb Nb Co Ge
Nb Nb Co Ge 0 2 o + o 0 1 o o o 2 3 - o - 