data_SrZrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   137.39
_cell_angle_beta   137.39
_cell_angle_gamma   61.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrPt2
_chemical_formula_sum   'Sr1 Zr1 Pt2'
_cell_volume   83.83
_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  0.0  1.0
  Zr  Zr3  1  0.07  0.0  0.44  1.0
  Pt  Pt0  1  0.0  0.0  0.89  1.0
  Pt  Pt1  1  0.0  0.07  0.44  1.0

data_SrZrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.7
_cell_angle_alpha   111.31
_cell_angle_beta   111.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrPt2
_chemical_formula_sum   'Sr1 Zr1 Pt2'
_cell_volume   83.83
_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  0.0  1.0
  Zr  Zr1  1  0.44  0.37  0.37  1.0
  Pt  Pt2  1  0.37  0.44  0.37  1.0
  Pt  Pt3  1  0.89  0.89  0.89  1.0

Sr Zr Pt Pt
Sr Zr Pt Pt 0 2 o o - 1 3 o o o 