data_SrTiMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   150.95
_cell_angle_beta   150.95
_cell_angle_gamma   41.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiMn
_chemical_formula_sum   'Sr1 Ti1 Mn1'
_cell_volume   63.35
_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  Sr1  1  0.0  0.0  0.86  1.0
  Ti  Ti2  1  0.0  0.0  0.64  1.0
  Mn  Mn0  1  0.0  0.0  0.66  1.0

data_SrTiMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTiMn
_chemical_formula_sum   'Sr2 Ti2 Mn2'
_cell_volume   126.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.5  0.86  1.0
  Ti  Ti1  2  0.14  0.5  0.64  1.0
  Mn  Mn2  2  0.16  0.5  0.66  1.0

Sr Ti Mn
Sr Ti Mn 0 2 o o o 0 1 o o o 1 2 o o o 