data_SrLi2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   125.23
_cell_angle_beta   120.77
_cell_angle_gamma   84.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Mg
_chemical_formula_sum   'Sr1 Li2 Mg1'
_cell_volume   113.76
_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  Sr3  1  0.0  0.0  0.08  1.0
  Li  Li0  1  0.0  0.74  0.19  1.0
  Li  Li1  1  0.55  0.0  0.89  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0

data_SrLi2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.47
_cell_length_c   5.54
_cell_angle_alpha   119.61
_cell_angle_beta   117.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Mg
_chemical_formula_sum   'Sr1 Li2 Mg1'
_cell_volume   113.76
_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  Sr0  1  0.92  0.92  0.92  1.0
  Li  Li1  1  0.65  0.11  0.65  1.0
  Li  Li2  1  0.81  0.55  0.55  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0

Sr Li Li Mg