data_SrMn2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.74
_cell_angle_alpha   103.97
_cell_angle_beta   103.97
_cell_angle_gamma   46.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Zn
_chemical_formula_sum   'Sr1 Mn2 Zn1'
_cell_volume   88.06
_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  Sr2  1  0.56  0.0  0.77  1.0
  Mn  Mn0  1  0.14  0.0  0.71  1.0
  Mn  Mn1  1  0.98  0.0  0.83  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_SrMn2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.69
_cell_length_c   5.74
_cell_angle_alpha   103.97
_cell_angle_beta   90.0
_cell_angle_gamma   113.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Zn
_chemical_formula_sum   'Sr1 Mn2 Zn1'
_cell_volume   88.06
_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  0.44  0.23  1.0
  Mn  Mn1  1  0.0  0.02  0.17  1.0
  Mn  Mn2  1  0.0  0.86  0.29  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Sr Mn Mn Zn
Sr Mn Mn Zn 0 1 o o o 0 2 o o o 0 3 + o + 1 2 - o o 2 3 + o + 