data_[Tc1As2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9971]
_cell_length_b [4.0110]
_cell_length_c [5.3504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TcAs2W]
_chemical_formula_sum '[Tc1 As2 W1]'
_cell_volume [64.2462]
_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  0.5000  0.5000  0.0000  1
  As  As1  2  0.3043  0.0000  0.2517  1
  W  W2  1  0.0000  0.5000  0.5000  1
]