data_SmCuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCuSi
_chemical_formula_sum   'Sm2 Cu2 Si2'
_cell_volume   116.2
_cell_formula_units_Z   2
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  Sm4  1  0.0  0.0  0.83  1.0
  Sm  Sm5  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.41  0.75  1.0
  Cu  Cu1  1  0.09  0.21  0.92  1.0
  Si  Si2  1  0.09  0.21  0.75  1.0
  Si  Si3  1  0.0  0.41  0.92  1.0

data_SmCuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCuSi
_chemical_formula_sum   'Sm2 Cu2 Si2'
_cell_volume   116.2
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Sm  Sm1  1  0.0  0.0  0.83  1.0
  Cu  Cu2  1  -0.0  0.41  0.75  1.0
  Si  Si3  1  -0.0  0.41  0.92  1.0
  Si  Si4  1  0.09  0.21  0.75  1.0
  Cu  Cu5  1  0.09  0.21  0.92  1.0

Sm Sm Cu Cu Si Si