data_Fe2CoGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoGe
_chemical_formula_sum   'Fe2 Co1 Ge1'
_cell_volume   50.52
_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  0.49  0.0  0.01  1.0
  Fe  Fe2  1  0.0  0.0  0.87  1.0
  Co  Co0  1  0.0  0.0  0.93  1.0
  Ge  Ge3  1  0.49  0.0  0.89  1.0

data_Fe2CoGe
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.63
_cell_length_b   7.8
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   110.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Fe2CoGe
_chemical_formula_sum   'Fe2 Co1 Ge1'
_cell_volume   50.52
_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  0.13  0.0  1.0
  Fe  Fe1  1  0.5  0.99  0.0  1.0
  Co  Co2  1  0.0  0.07  0.0  1.0
  Ge  Ge3  1  0.5  0.11  0.0  1.0

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