data_FeCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   143.31
_cell_angle_beta   130.69
_cell_angle_gamma   63.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ge
_chemical_formula_sum   'Fe1 Co2 Ge1'
_cell_volume   47.31
_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
  Fe  Fe2  1  0.0  0.0  0.05  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.49  0.0  0.04  1.0
  Ge  Ge3  1  0.0  0.97  0.02  1.0

data_FeCo2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.94
_cell_length_c   4.73
_cell_angle_alpha   114.65
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ge
_chemical_formula_sum   'Fe1 Co2 Ge1'
_cell_volume   47.31
_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
  Fe  Fe0  1  0.95  0.95  0.95  1.0
  Co  Co1  1  0.45  0.96  0.45  1.0
  Co  Co2  1  1.0  1.0  1.0  1.0
  Ge  Ge3  1  0.98  0.95  0.95  1.0

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