data_CoNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   4.18
_cell_angle_alpha   122.23
_cell_angle_beta   119.65
_cell_angle_gamma   88.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiGe2
_chemical_formula_sum   'Co1 Ni1 Ge2'
_cell_volume   50.74
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.99  1.0
  Ge  Ge1  1  0.0  0.1  0.5  1.0
  Ge  Ge2  1  0.02  0.0  0.5  1.0

data_CoNiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.18
_cell_length_c   4.18
_cell_angle_alpha   60.35
_cell_angle_beta   61.11
_cell_angle_gamma   61.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiGe2
_chemical_formula_sum   'Co1 Ni1 Ge2'
_cell_volume   50.74
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.99  0.0  0.01  1.0
  Ge  Ge2  1  0.48  0.02  0.5  1.0
  Ge  Ge3  1  0.5  0.0  0.6  1.0

Co Ni Ge Ge