data_MgNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.03
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiGe2
_chemical_formula_sum   'Mg1 Ni1 Ge2'
_cell_volume   66.95
_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
  Mg  Mg2  1  0.78  0.0  0.6  1.0
  Ni  Ni3  1  0.9  0.02  0.33  1.0
  Ge  Ge0  1  0.68  0.0  0.06  1.0
  Ge  Ge1  1  0.54  0.02  0.8  1.0

data_MgNiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.03
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiGe2
_chemical_formula_sum   'Mg1 Ni1 Ge2'
_cell_volume   66.95
_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
  Mg  Mg0  1  0.78  0.0  0.6  1.0
  Ni  Ni1  1  0.9  0.02  0.33  1.0
  Ge  Ge2  1  0.54  0.02  0.8  1.0
  Ge  Ge3  1  0.68  0.0  0.06  1.0

Mg Ni Ge Ge