data_[Mg1Sc1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7750]
_cell_length_b [4.8094]
_cell_length_c [5.4852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgScW2]
_chemical_formula_sum '[Mg1 Sc1 W2]'
_cell_volume [71.6018]
_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
[
  Mg  Mg0  1  0.5000  0.5000  0.0000  1
  Sc  Sc1  1  0.0000  0.5000  0.5000  1
  W  W2  2  0.2900  0.0000  0.2629  1
]