data_SrCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   3.03
_cell_angle_alpha   103.78
_cell_angle_beta   103.78
_cell_angle_gamma   113.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Si
_chemical_formula_sum   'Sr1 Cu2 Si1'
_cell_volume   76.39
_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  0.04  0.0  0.0  1.0
  Cu  Cu0  1  0.87  0.7  0.36  1.0
  Cu  Cu1  1  0.87  0.3  0.36  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_SrCu2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.5
_cell_length_c   5.52
_cell_angle_alpha   118.56
_cell_angle_beta   103.78
_cell_angle_gamma   94.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Si
_chemical_formula_sum   'Sr1 Cu2 Si1'
_cell_volume   76.39
_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  0.0  0.0  0.04  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.06  0.7  0.56  1.0
  Cu  Cu3  1  0.67  0.3  0.17  1.0

Sr Cu Cu Si