data_AsPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.37
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPt2Se
_chemical_formula_sum   'As1 Pt2 Se1'
_cell_volume   68.9
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.14  0.19  0.28  1.0
  Pt  Pt2  1  0.25  0.19  0.08  1.0
  Se  Se3  1  0.2  0.0  0.68  1.0

data_AsPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.37
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPt2Se
_chemical_formula_sum   'As1 Pt2 Se1'
_cell_volume   68.9
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.14  0.19  0.28  1.0
  Pt  Pt2  1  0.25  0.19  0.08  1.0
  Se  Se3  1  0.2  0.0  0.68  1.0

As Pt Pt Se