data_[Tc2W1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8954]
_cell_length_b [4.1557]
_cell_length_c [5.2999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tc2WSe]
_chemical_formula_sum '[Tc2 W1 Se1]'
_cell_volume [61.8660]
_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
[
  Tc  Tc0  1  0.4168  0.5000  0.2645  1
  Tc  Tc1  1  0.7747  0.0000  0.9936  1
  W  W2  1  0.1084  0.0000  0.4995  1
  Se  Se3  1  0.7001  0.5000  0.7424  1
]