data_[Mn1Al2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7205]
_cell_length_b [4.4213]
_cell_length_c [4.8477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnAl2W]
_chemical_formula_sum '[Mn1 Al2 W1]'
_cell_volume [58.1660]
_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
[
  Mn  Mn0  1  0.4409  0.0000  0.4776  1
  Al  Al1  1  0.8488  0.5000  0.2798  1
  Al  Al2  1  0.8822  0.0000  0.9725  1
  W  W3  1  0.3281  0.5000  0.7701  1
]