data_[Ta2Mo4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9680]
_cell_length_b [3.2813]
_cell_length_c [6.3823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(MoSe2)2]
_chemical_formula_sum '[Ta2 Mo4 Se8]'
_cell_volume [267.2949]
_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  0.0000  0.0000  0.0000  1
  Mo  Mo1  4  0.2449  0.5000  0.6815  1
  Se  Se2  4  0.1062  0.0000  0.4465  1
  Se  Se3  4  0.1406  0.5000  0.9685  1
]