data_Ta2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   109.54
_cell_angle_beta   109.54
_cell_angle_gamma   109.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Se
_chemical_formula_sum   'Ta4 Se2'
_cell_volume   105.34
_cell_formula_units_Z   2
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  0.99  0.98  0.0  1.0
  Ta  Ta3  1  0.98  0.99  0.98  1.0
  Ta  Ta4  1  0.96  0.99  0.0  1.0
  Ta  Ta5  1  0.01  0.98  0.98  1.0
  Se  Se0  1  0.0  0.0  0.47  1.0
  Se  Se1  1  0.0  0.0  0.49  1.0

data_Ta2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   109.34
_cell_angle_beta   109.54
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Se
_chemical_formula_sum   'Ta4 Se2'
_cell_volume   105.34
_cell_formula_units_Z   2
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  0.96  0.99  1.0
  Ta  Ta1  1  -0.0  0.99  0.98  1.0
  Ta  Ta2  1  0.98  0.01  0.98  1.0
  Ta  Ta3  1  0.98  0.98  0.99  1.0
  Se  Se4  1  0.47  0.0  0.0  1.0
  Se  Se5  1  0.49  0.0  0.0  1.0

Ta Ta Ta Ta Se Se