data_ZrPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   136.5
_cell_angle_beta   136.5
_cell_angle_gamma   63.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPt2Cl
_chemical_formula_sum   'Zr1 Pt2 Cl1'
_cell_volume   70.29
_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  0.53  1.0
  Pt  Pt1  1  0.97  0.0  0.26  1.0
  Pt  Pt2  1  0.0  0.97  0.26  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZrPt2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   121.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrPt2Cl
_chemical_formula_sum   'Zr2 Pt4 Cl2'
_cell_volume   140.59
_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  0.47  0.0  0.47  1.0
  Pt  Pt1  4  0.22  0.49  0.71  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Zr Pt Pt Cl