data_[Mn1Al1W2]
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 [2.7060]
_cell_length_b [4.3368]
_cell_length_c [5.0707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnAlW2]
_chemical_formula_sum '[Mn1 Al1 W2]'
_cell_volume [58.6804]
_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  0.2624  0.5000  0.7502  1
  Al  Al1  1  0.4356  0.0000  0.5028  1
  W  W2  1  0.0078  0.0000  0.9888  1
  W  W3  1  0.7943  0.5000  0.2583  1
]