data_SrZrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   31.6
_cell_angle_beta   31.6
_cell_angle_gamma   31.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrFe2
_chemical_formula_sum   'Sr1 Zr1 Fe2'
_cell_volume   92.76
_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  0.79  1.0
  Zr  Zr3  1  0.0  0.0  0.54  1.0
  Fe  Fe0  1  0.0  0.0  0.92  1.0
  Fe  Fe1  1  0.0  0.0  0.25  1.0

data_SrZrFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   3.95
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   108.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZrFe2
_chemical_formula_sum   'Sr2 Zr2 Fe4'
_cell_volume   185.52
_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  0.21  1.0
  Zr  Zr1  2  -0.0  0.0  0.46  1.0
  Fe  Fe2  2  -0.0  0.0  0.08  1.0
  Fe  Fe3  2  0.0  0.0  0.75  1.0

Sr Zr Fe Fe