data_[Ta5Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0552]
_cell_length_b [7.6488]
_cell_length_c [9.0538]
_cell_angle_alpha [112.7551]
_cell_angle_beta [108.8340]
_cell_angle_gamma [90.7778]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaSe2]
_chemical_formula_sum '[Ta5 Se10]'
_cell_volume [361.3506]
_cell_formula_units_Z [5]
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  2  0.1802  0.3670  0.3673  1.0
  Ta  Ta1  2  0.4101  0.8151  0.8149  1.0
  Ta  Ta2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  2  0.0944  0.7332  0.5051  1.0
  Se  Se4  2  0.1236  0.6537  0.9088  1.0
  Se  Se5  2  0.2823  0.1508  0.8972  1.0
  Se  Se6  2  0.3161  0.0425  0.2983  1.0
  Se  Se7  2  0.4961  0.5368  0.3118  1.0
]