data_Sr2MnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.16
_cell_angle_alpha   101.89
_cell_angle_beta   101.89
_cell_angle_gamma   38.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnAl
_chemical_formula_sum   'Sr2 Mn1 Al1'
_cell_volume   113.5
_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  Sr2  1  0.5  0.0  0.55  1.0
  Sr  Sr3  1  0.55  0.0  0.47  1.0
  Mn  Mn1  1  0.52  0.0  0.01  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Sr2MnAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.5
_cell_length_c   6.16
_cell_angle_alpha   101.89
_cell_angle_beta   90.0
_cell_angle_gamma   109.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnAl
_chemical_formula_sum   'Sr2 Mn1 Al1'
_cell_volume   113.5
_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  0.45  0.53  1.0
  Sr  Sr1  1  0.0  0.5  0.45  1.0
  Mn  Mn2  1  0.0  0.48  0.99  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Sr Sr Mn Al