data_SrMgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   4.61
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgSi
_chemical_formula_sum   'Sr4 Mg4 Si4'
_cell_volume   305.36
_cell_formula_units_Z   4
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  0.02  0.15  0.69  1.0
  Sr  Sr1  1  0.12  0.15  0.56  1.0
  Sr  Sr2  1  0.77  0.46  0.81  1.0
  Sr  Sr3  1  0.66  0.46  0.95  1.0
  Mg  Mg4  1  0.0  0.15  0.97  1.0
  Mg  Mg5  1  0.11  0.15  0.79  1.0
  Mg  Mg6  1  0.78  0.46  0.53  1.0
  Mg  Mg7  1  0.68  0.46  0.72  1.0
  Si  Si8  1  0.19  0.15  0.56  1.0
  Si  Si9  1  0.09  0.15  0.2  1.0
  Si  Si10  1  0.59  0.46  0.95  1.0
  Si  Si11  1  0.7  0.46  0.31  1.0

data_SrMgSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.61
_cell_length_b   7.79
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrMgSi
_chemical_formula_sum   'Sr4 Mg4 Si4'
_cell_volume   305.36
_cell_formula_units_Z   4
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  0.35  0.12  0.94  1.0
  Sr  Sr1  2  0.35  0.23  0.81  1.0
  Mg  Mg2  2  0.35  0.11  0.22  1.0
  Mg  Mg3  2  0.35  0.22  0.03  1.0
  Si  Si4  2  0.35  0.19  0.45  1.0
  Si  Si5  2  0.35  0.3  0.81  1.0

Sr Sr Sr Sr Mg Mg Mg Mg Si Si Si Si