data_Tc2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.6
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PtSe
_chemical_formula_sum   'Tc2 Pt1 Se1'
_cell_volume   62.64
_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
  Tc  Tc2  1  0.0  0.3  0.36  1.0
  Tc  Tc3  1  0.44  0.0  0.36  1.0
  Pt  Pt0  1  0.44  0.3  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Tc2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.6
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PtSe
_chemical_formula_sum   'Tc2 Pt1 Se1'
_cell_volume   62.64
_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
  Tc  Tc0  1  0.0  0.3  0.36  1.0
  Tc  Tc1  1  0.44  0.0  0.36  1.0
  Pt  Pt2  1  0.44  0.3  -0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tc Tc Pt Se
Tc Tc Pt Se 0 1 - o o 0 1 o o o 0 2 - o o 0 2 o o o 0 3 o o o 1 3 o o o 1 3 + o o 1 2 o o o 2 3 o o o 2 3 + o o 