data_SrLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   57.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiMg6
_chemical_formula_sum   'Sr1 Li1 Mg6'
_cell_volume   210.06
_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  0.0  0.02  1.0
  Li  Li1  1  0.0  0.0  0.95  1.0
  Mg  Mg2  1  0.0  0.69  0.04  1.0
  Mg  Mg3  1  0.0  0.31  0.04  1.0
  Mg  Mg4  1  0.66  0.74  0.89  1.0
  Mg  Mg5  1  0.66  0.26  0.89  1.0
  Mg  Mg6  1  0.66  0.0  0.92  1.0
  Mg  Mg7  1  0.66  0.0  0.06  1.0

data_SrLiMg6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   6.6
_cell_length_c   6.83
_cell_angle_alpha   118.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiMg6
_chemical_formula_sum   'Sr1 Li1 Mg6'
_cell_volume   210.06
_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  0.02  0.02  1.0
  Li  Li1  1  0.0  0.95  0.95  1.0
  Mg  Mg2  1  -0.0  0.04  0.73  1.0
  Mg  Mg3  1  0.0  0.04  0.35  1.0
  Mg  Mg4  1  0.34  0.06  0.06  1.0
  Mg  Mg5  1  0.34  0.89  0.63  1.0
  Mg  Mg6  1  0.34  0.89  0.15  1.0
  Mg  Mg7  1  0.34  0.92  0.92  1.0

Sr Li Mg Mg Mg Mg Mg Mg