data_TaTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   6.28
_cell_angle_alpha   97.82
_cell_angle_beta   97.82
_cell_angle_gamma   40.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcSe2
_chemical_formula_sum   'Ta1 Tc1 Se2'
_cell_volume   92.47
_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
  Ta  Ta2  1  0.98  0.0  0.69  1.0
  Tc  Tc3  1  0.59  0.0  0.05  1.0
  Se  Se0  1  0.94  0.0  0.7  1.0
  Se  Se1  1  0.53  0.0  0.88  1.0

data_TaTcSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.77
_cell_length_c   6.28
_cell_angle_alpha   97.82
_cell_angle_beta   90.0
_cell_angle_gamma   110.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcSe2
_chemical_formula_sum   'Ta1 Tc1 Se2'
_cell_volume   92.47
_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
  Ta  Ta0  1  0.0  0.02  0.31  1.0
  Tc  Tc1  1  0.0  0.41  0.95  1.0
  Se  Se2  1  0.0  0.06  0.3  1.0
  Se  Se3  1  0.0  0.47  0.12  1.0

Ta Tc Se Se
Ta Tc Se Se 0 2 o o o 1 3 o o - 