data_SrLiMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiMg2
_chemical_formula_sum   'Sr1 Li1 Mg2'
_cell_volume   123.04
_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  0.44  0.0  0.0  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.72  0.45  0.82  1.0
  Mg  Mg2  1  0.72  0.55  0.82  1.0

data_SrLiMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   109.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiMg2
_chemical_formula_sum   'Sr1 Li1 Mg2'
_cell_volume   123.04
_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  0.0  0.44  0.0  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.82  0.72  0.45  1.0
  Mg  Mg3  1  0.82  0.72  0.55  1.0

Sr Li Mg Mg
Sr Li Mg Mg 0 1 o o o 0 3 o o - 0 2 o o - 1 3 - - - 1 2 - - - 2 3 o o o 