data_ErSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   4.29
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErSiPt
_chemical_formula_sum   'Er4 Si4 Pt4'
_cell_volume   221.66
_cell_formula_units_Z   4
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
  Er  Er0  1  0.92  0.07  0.52  1.0
  Er  Er1  1  0.46  0.07  0.21  1.0
  Er  Er2  1  0.01  0.22  0.93  1.0
  Er  Er3  1  0.48  0.22  0.24  1.0
  Si  Si4  1  0.61  0.07  0.38  1.0
  Si  Si5  1  0.14  0.07  0.79  1.0
  Si  Si6  1  0.33  0.22  0.06  1.0
  Si  Si7  1  0.79  0.22  0.66  1.0
  Pt  Pt8  1  0.38  0.07  0.35  1.0
  Pt  Pt9  1  0.84  0.07  0.82  1.0
  Pt  Pt10  1  0.56  0.22  0.1  1.0
  Pt  Pt11  1  0.09  0.22  0.63  1.0

data_ErSiPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.29
_cell_length_b   6.94
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ErSiPt
_chemical_formula_sum   'Er4 Si4 Pt4'
_cell_volume   221.66
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Er  Er0  2  0.43  0.49  0.48  1.0
  Er  Er1  2  0.43  0.96  0.79  1.0
  Si  Si2  2  0.43  0.17  0.06  1.0
  Si  Si3  2  0.43  0.64  0.66  1.0
  Pt  Pt4  2  0.43  0.41  0.63  1.0
  Pt  Pt5  2  0.43  0.88  0.1  1.0

Er Er Er Er Si Si Si Si Pt Pt Pt Pt
Er Er Er Er Si Si Si Si Pt Pt Pt Pt 0 7 o o o 0 11 + o o 1 3 o o o 1 4 o o o 1 6 o o o 1 8 o o o 1 10 o o o 2 9 - o o 2 5 o o o 3 4 o o o 3 6 o o o 3 8 o o o 3 10 o o o 4 8 o o o 5 11 o o o 6 10 o o o 7 9 o o o 