data_Cr2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PtSe
_chemical_formula_sum   'Cr2 Pt1 Se1'
_cell_volume   60.31
_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
  Cr  Cr0  1  0.37  0.22  0.55  1.0
  Cr  Cr1  1  0.37  0.78  0.55  1.0
  Pt  Pt2  1  0.74  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cr2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   104.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PtSe
_chemical_formula_sum   'Cr2 Pt1 Se1'
_cell_volume   60.31
_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
  Cr  Cr0  1  0.55  0.37  0.22  1.0
  Cr  Cr1  1  0.55  0.37  0.78  1.0
  Pt  Pt2  1  0.0  0.74  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cr Cr Pt Se
Cr Cr Pt Se 0 3 o o o 0 3 o o + 0 1 o o o 0 1 o - o 0 2 o o + 1 3 o + + 1 2 o + o 1 2 o + + 2 3 + o o 
Cr2PtSe crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(2), two equivalent Pt(1), and two equivalent Se(1) atoms. There is one shorter (2.00 Å) and one longer (2.49 Å) Cr(1)-Cr(2) bond length. There is one shorter (2.57 Å) and one longer (2.74 Å) Cr(1)-Pt(1) bond length. There is one shorter (2.21 Å) and one longer (2.41 Å) Cr(1)-Se(1) bond length. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Pt(1), and two equivalent Se(1) atoms. There is one shorter (2.21 Å) and one longer (2.41 Å) Cr(2)-Pt(1) bond length. There is one shorter (2.57 Å) and one longer (2.74 Å) Cr(2)-Se(1) bond length. Pt(1) is bonded in a 1-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and one Se(1) atom. The Pt(1)-Se(1) bond length is 1.16 Å. Se(1) is bonded in a 5-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and one Pt(1) atom.