data_HfCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.19
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   95.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoGe2
_chemical_formula_sum   'Hf1 Co1 Ge2'
_cell_volume   65.35
_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
  Hf  Hf3  1  0.27  0.1  0.57  1.0
  Co  Co0  1  0.77  0.0  0.73  1.0
  Ge  Ge1  1  0.91  0.1  0.92  1.0
  Ge  Ge2  1  0.73  0.0  0.29  1.0

data_HfCoGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.19
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   95.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoGe2
_chemical_formula_sum   'Hf1 Co1 Ge2'
_cell_volume   65.35
_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
  Hf  Hf0  1  0.27  0.1  0.57  1.0
  Co  Co1  1  0.77  0.0  0.73  1.0
  Ge  Ge2  1  0.73  0.0  0.29  1.0
  Ge  Ge3  1  0.91  0.1  0.92  1.0

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