data_DyCuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCuSi
_chemical_formula_sum   'Dy2 Cu2 Si2'
_cell_volume   110.95
_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
  Dy  Dy2  1  0.0  0.0  0.72  1.0
  Dy  Dy3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.4  0.57  1.0
  Cu  Cu1  1  0.08  0.2  0.86  1.0
  Si  Si4  1  0.08  0.2  0.57  1.0
  Si  Si5  1  0.0  0.4  0.86  1.0

data_DyCuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCuSi
_chemical_formula_sum   'Dy2 Cu2 Si2'
_cell_volume   110.95
_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
  Dy  Dy0  1  0.0  0.0  0.0  1.0
  Dy  Dy1  1  0.0  0.0  0.72  1.0
  Cu  Cu2  1  0.0  0.4  0.57  1.0
  Si  Si3  1  0.0  0.4  0.86  1.0
  Si  Si4  1  0.08  0.2  0.57  1.0
  Cu  Cu5  1  0.08  0.2  0.86  1.0

Dy Dy Cu Cu Si Si
Dy Dy Cu Cu Si Si 0 4 o o o 0 3 o o o 1 3 o o - 2 4 o o o 3 5 o o o 