data_[Ta4Se2Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0017]
_cell_length_b [3.1730]
_cell_length_c [18.6610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta2SeCl2]
_chemical_formula_sum '[Ta4 Se2 Cl4]'
_cell_volume [651.4256]
_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  2  0.0703  0.0000  0.4930  1
  Ta  Ta1  2  0.2955  0.5000  0.4575  1
  Se  Se2  2  0.4581  0.0000  0.3979  1
  Cl  Cl3  2  0.0333  0.5000  0.5941  1
  Cl  Cl4  2  0.2739  0.0000  0.5575  1
]