data_GaCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.85
_cell_angle_alpha   101.2
_cell_angle_beta   101.2
_cell_angle_gamma   40.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Ge
_chemical_formula_sum   'Ga1 Co2 Ge1'
_cell_volume   50.91
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.5  0.0  0.22  1.0
  Co  Co1  1  0.15  0.0  0.52  1.0
  Ge  Ge3  1  0.33  0.0  0.37  1.0

data_GaCo2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.08
_cell_length_c   4.85
_cell_angle_alpha   101.2
_cell_angle_beta   90.0
_cell_angle_gamma   110.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Ge
_chemical_formula_sum   'Ga1 Co2 Ge1'
_cell_volume   50.91
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.5  0.78  1.0
  Co  Co2  1  0.0  0.85  0.48  1.0
  Ge  Ge3  1  0.0  0.67  0.63  1.0

Ga Co Co Ge