data_[Ta1Mn2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7233]
_cell_length_b [4.0817]
_cell_length_c [5.2445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TaMn2W]
_chemical_formula_sum '[Ta1 Mn2 W1]'
_cell_volume [57.2967]
_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  0.5000  0.5000  0.0000  1
  Mn  Mn1  2  0.2462  0.0000  0.2592  1
  W  W2  1  0.0000  0.5000  0.5000  1
]