data_SrMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   147.78
_cell_angle_beta   147.78
_cell_angle_gamma   46.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnFe
_chemical_formula_sum   'Sr1 Mn1 Fe1'
_cell_volume   60.48
_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  0.0  0.0  0.31  1.0
  Mn  Mn1  1  0.0  0.0  0.2  1.0
  Fe  Fe0  1  0.0  0.0  0.48  1.0

data_SrMnFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   113.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMnFe
_chemical_formula_sum   'Sr2 Mn2 Fe2'
_cell_volume   120.96
_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  0.0  0.0  0.69  1.0
  Mn  Mn1  2  0.0  0.0  0.8  1.0
  Fe  Fe2  2  0.0  0.0  0.52  1.0

Sr Mn Fe