data_SrFe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   121.75
_cell_angle_beta   121.75
_cell_angle_gamma   87.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Se
_chemical_formula_sum   'Sr1 Fe2 Se1'
_cell_volume   79.65
_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  0.0  0.37  0.77  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.37  0.0  0.77  1.0
  Se  Se2  1  0.0  0.0  0.54  1.0

data_SrFe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.88
_cell_angle_alpha   119.13
_cell_angle_beta   119.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Se
_chemical_formula_sum   'Sr1 Fe2 Se1'
_cell_volume   79.65
_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  0.4  0.77  0.4  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.77  0.4  0.4  1.0
  Se  Se3  1  0.54  0.54  0.54  1.0

Sr Fe Fe Se