data_ZrPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   4.56
_cell_angle_alpha   97.61
_cell_angle_beta   97.61
_cell_angle_gamma   32.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPtSe2
_chemical_formula_sum   'Zr1 Pt1 Se2'
_cell_volume   100.07
_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  0.87  0.0  0.26  1.0
  Se  Se1  1  0.97  0.0  0.97  1.0
  Se  Se2  1  0.76  0.0  0.55  1.0

data_ZrPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.56
_cell_length_c   6.44
_cell_angle_alpha   97.61
_cell_angle_beta   106.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPtSe2
_chemical_formula_sum   'Zr1 Pt1 Se2'
_cell_volume   100.07
_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  Zr0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.26  0.87  1.0
  Se  Se2  1  0.0  0.55  0.76  1.0
  Se  Se3  1  0.0  0.97  0.97  1.0

Zr Pt Se Se