data_SrMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2
_chemical_formula_sum   'Sr4 Mg8'
_cell_volume   375.68
_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  Sr8  1  0.23  0.87  0.8  1.0
  Sr  Sr9  1  0.0  0.73  0.61  1.0
  Sr  Sr10  1  0.0  0.73  0.59  1.0
  Sr  Sr11  1  0.23  0.87  0.78  1.0
  Mg  Mg0  1  0.0  0.0  0.19  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.62  0.67  0.79  1.0
  Mg  Mg3  1  0.61  0.93  0.6  1.0
  Mg  Mg4  1  0.38  0.67  0.79  1.0
  Mg  Mg5  1  0.0  0.86  0.79  1.0
  Mg  Mg6  1  0.23  0.74  0.6  1.0
  Mg  Mg7  1  0.86  0.93  0.6  1.0

data_SrMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2
_chemical_formula_sum   'Sr4 Mg8'
_cell_volume   375.68
_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  0.0  0.73  0.59  1.0
  Sr  Sr1  1  0.0  0.73  0.61  1.0
  Sr  Sr2  1  0.23  0.87  0.78  1.0
  Sr  Sr3  1  0.23  0.87  0.8  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.0  0.0  0.19  1.0
  Mg  Mg6  1  0.0  0.86  0.79  1.0
  Mg  Mg7  1  0.23  0.74  0.6  1.0
  Mg  Mg8  1  0.38  0.67  0.79  1.0
  Mg  Mg9  1  0.61  0.93  0.6  1.0
  Mg  Mg10  1  0.62  0.67  0.79  1.0
  Mg  Mg11  1  0.86  0.93  0.6  1.0

Sr Sr Sr Sr Mg Mg Mg Mg Mg Mg Mg Mg
Sr Sr Sr Sr Mg Mg Mg Mg Mg Mg Mg Mg 0 3 o o o 0 8 o o o 0 9 o o o 1 2 o o o 1 10 o o o 1 11 - o o 2 10 o o o 2 11 - o o 3 8 o o o 3 9 o o o 4 5 o o o 5 9 o - - 6 8 o o o 7 11 o o o 