data_SrMg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.72
_cell_angle_alpha   109.5
_cell_angle_beta   109.5
_cell_angle_gamma   55.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2Sb
_chemical_formula_sum   'Sr1 Mg2 Sb1'
_cell_volume   123.62
_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  0.89  0.0  0.55  1.0
  Mg  Mg0  1  0.17  0.0  0.68  1.0
  Mg  Mg1  1  0.24  0.0  0.65  1.0
  Sb  Sb2  1  0.02  0.0  0.67  1.0

data_SrMg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.9
_cell_length_c   6.72
_cell_angle_alpha   109.5
_cell_angle_beta   90.0
_cell_angle_gamma   117.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2Sb
_chemical_formula_sum   'Sr1 Mg2 Sb1'
_cell_volume   123.62
_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  0.11  0.45  1.0
  Mg  Mg1  1  0.0  0.76  0.35  1.0
  Mg  Mg2  1  0.0  0.83  0.32  1.0
  Sb  Sb3  1  0.0  0.98  0.33  1.0

Sr Mg Mg Sb
Sr Mg Mg Sb 0 3 + o o 1 2 o o o 1 3 o o o 