data_SrYZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   155.52
_cell_angle_beta   155.52
_cell_angle_gamma   34.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYZr
_chemical_formula_sum   'Sr1 Y1 Zr1'
_cell_volume   99.45
_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  0.0  0.12  1.0
  Y  Y1  1  0.0  0.0  0.96  1.0
  Zr  Zr2  1  0.0  0.0  0.82  1.0

data_SrYZr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrYZr
_chemical_formula_sum   'Sr2 Y2 Zr2'
_cell_volume   198.9
_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  0.12  0.0  0.12  1.0
  Y  Y1  2  0.46  0.5  0.96  1.0
  Zr  Zr2  2  0.32  0.5  0.82  1.0

Sr Y Zr
Sr Y Zr 0 1 o o - 1 2 o o o 