data_SrMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.13
_cell_angle_alpha   109.54
_cell_angle_beta   109.54
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg
_chemical_formula_sum   'Sr2 Mg2'
_cell_volume   147.31
_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
  Sr  Sr2  1  0.08  0.0  0.74  1.0
  Sr  Sr3  1  0.78  0.0  0.0  1.0
  Mg  Mg0  1  0.65  0.0  0.66  1.0
  Mg  Mg1  1  0.22  0.0  0.08  1.0

data_SrMg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.94
_cell_length_b   6.13
_cell_length_c   6.8
_cell_angle_alpha   109.54
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrMg
_chemical_formula_sum   'Sr2 Mg2'
_cell_volume   147.31
_cell_formula_units_Z   2
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  0.0  0.37  0.65  1.0
  Mg  Mg1  2  0.0  0.29  0.22  1.0

Sr Sr Mg Mg