data_SmNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   4.32
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNiGe
_chemical_formula_sum   'Sm4 Ni4 Ge4'
_cell_volume   223.2
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.46  0.08  0.79  1.0
  Sm  Sm1  1  0.02  0.08  0.08  1.0
  Sm  Sm2  1  0.67  0.24  0.45  1.0
  Sm  Sm3  1  0.11  0.24  0.17  1.0
  Ni  Ni4  1  0.27  0.08  0.57  1.0
  Ni  Ni5  1  0.83  0.08  0.05  1.0
  Ni  Ni6  1  0.86  0.24  0.67  1.0
  Ni  Ni7  1  0.29  0.24  0.19  1.0
  Ge  Ge8  1  0.19  0.08  0.95  1.0
  Ge  Ge9  1  0.75  0.08  0.68  1.0
  Ge  Ge10  1  0.94  0.24  0.3  1.0
  Ge  Ge11  1  0.38  0.24  0.57  1.0

data_SmNiGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.32
_cell_length_b   7.13
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SmNiGe
_chemical_formula_sum   'Sm4 Ni4 Ge4'
_cell_volume   223.2
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Sm  Sm0  2  0.42  0.46  0.45  1.0
  Sm  Sm1  2  0.42  0.89  0.17  1.0
  Ni  Ni2  2  0.42  0.27  0.43  1.0
  Ni  Ni3  2  0.42  0.71  0.95  1.0
  Ge  Ge4  2  0.42  0.19  0.05  1.0
  Ge  Ge5  2  0.42  0.62  0.32  1.0

Sm Sm Sm Sm Ni Ni Ni Ni Ge Ge Ge Ge