data_[Ta2In1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8536]
_cell_length_b [4.7168]
_cell_length_c [5.5440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2InW]
_chemical_formula_sum '[Ta2 In1 W1]'
_cell_volume [73.5593]
_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
[
  Ta  Ta0  1  0.7279  0.5000  0.2606  1
  Ta  Ta1  1  0.9965  0.0000  0.0082  1
  In  In2  1  0.2988  0.5000  0.7525  1
  W  W3  1  0.4769  0.0000  0.4787  1
]