data_[Ta1Co2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7258]
_cell_length_b [4.3465]
_cell_length_c [4.6447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaCo2W]
_chemical_formula_sum '[Ta1 Co2 W1]'
_cell_volume [54.7309]
_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  0.4679  0.0000  0.4363  1
  Co  Co1  1  0.8799  0.0000  0.9505  1
  Co  Co2  1  0.8850  0.5000  0.2965  1
  W  W3  1  0.2671  0.5000  0.8167  1
]