data_Sr2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   3.65
_cell_angle_alpha   91.02
_cell_angle_beta   91.02
_cell_angle_gamma   91.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuSi
_chemical_formula_sum   'Sr2 Cu1 Si1'
_cell_volume   108.45
_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  Sr2  1  0.86  0.95  0.82  1.0
  Sr  Sr3  1  0.86  0.05  0.82  1.0
  Cu  Cu0  1  0.82  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Sr2CuSi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.65
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   91.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2CuSi
_chemical_formula_sum   'Sr2 Cu1 Si1'
_cell_volume   108.48
_cell_formula_units_Z   1
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
  Sr  Sr0  2  0.82  0.05  0.86  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.82  1.0

Sr Sr Cu Si