data_SrMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg
_chemical_formula_sum   'Sr2 Mg2'
_cell_volume   222.9
_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  Sr0  1  0.01  0.74  0.78  1.0
  Sr  Sr1  1  0.0  0.48  0.33  1.0
  Mg  Mg2  1  0.01  0.74  0.33  1.0
  Mg  Mg3  1  0.0  0.48  0.78  1.0

data_SrMg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrMg
_chemical_formula_sum   'Sr2 Mg2'
_cell_volume   222.9
_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  0.63  0.72  1.0
  Mg  Mg1  2  0.0  0.63  0.28  1.0

Sr Sr Mg Mg