data_FeCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   2.91
_cell_angle_alpha   91.94
_cell_angle_beta   91.94
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoGe2
_chemical_formula_sum   'Fe1 Co1 Ge2'
_cell_volume   49.32
_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  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.88  0.0  0.0  1.0
  Ge  Ge2  1  0.37  0.47  0.45  1.0
  Ge  Ge3  1  0.37  0.53  0.45  1.0

data_FeCoGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.91
_cell_length_b   4.12
_cell_length_c   4.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   FeCoGe2
_chemical_formula_sum   'Fe1 Co1 Ge2'
_cell_volume   49.36
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  -0.0  0.0  0.88  1.0
  Ge  Ge2  2  0.45  0.47  0.37  1.0

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