data_SrCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   130.15
_cell_angle_beta   130.15
_cell_angle_gamma   73.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuSi2
_chemical_formula_sum   'Sr1 Cu1 Si2'
_cell_volume   79.8
_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
  Sr  Sr3  1  0.19  0.0  0.08  1.0
  Cu  Cu0  1  0.0  0.0  0.17  1.0
  Si  Si1  1  0.0  0.19  0.08  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_SrCuSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.19
_cell_angle_alpha   114.92
_cell_angle_beta   114.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuSi2
_chemical_formula_sum   'Sr1 Cu1 Si2'
_cell_volume   79.8
_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
  Sr  Sr0  1  0.08  0.9  0.9  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.17  0.17  0.17  1.0
  Si  Si3  1  0.9  0.08  0.9  1.0

Sr Cu Si Si
Sr Cu Si Si 0 3 o o o 1 3 o o o 2 3 o o o 