data_MgNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Ge
_chemical_formula_sum   'Mg1 Ni2 Ge1'
_cell_volume   55.32
_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  Mg1  1  0.0  0.0  0.31  1.0
  Ni  Ni2  1  0.11  0.0  0.77  1.0
  Ni  Ni3  1  0.0  0.0  0.41  1.0
  Ge  Ge0  1  0.11  0.0  0.3  1.0

data_MgNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2Ge
_chemical_formula_sum   'Mg1 Ni2 Ge1'
_cell_volume   55.32
_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  0.0  0.0  0.31  1.0
  Ni  Ni1  1  0.0  0.0  0.41  1.0
  Ni  Ni2  1  0.11  0.0  0.77  1.0
  Ge  Ge3  1  0.11  0.0  0.3  1.0

Mg Ni Ni Ge