data_ZrPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   17.46
_cell_angle_beta   17.46
_cell_angle_gamma   17.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPt3
_chemical_formula_sum   'Zr1 Pt3'
_cell_volume   67.64
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.07  1.0
  Pt  Pt1  1  0.0  0.0  0.05  1.0
  Pt  Pt2  1  0.0  0.0  0.04  1.0

data_ZrPt3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrPt3
_chemical_formula_sum   'Zr2 Pt6'
_cell_volume   135.28
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.93  1.0
  Pt  Pt2  2  0.0  0.0  0.95  1.0
  Pt  Pt3  2  0.0  0.0  0.96  1.0

Zr Pt Pt Pt