data_[Ga4P4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1894]
_cell_length_b [4.2996]
_cell_length_c [6.2673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaPW]
_chemical_formula_sum '[Ga4 P4 W4]'
_cell_volume [187.5981]
_cell_formula_units_Z [4]
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
[
  Ga  Ga0  4  0.0571  0.5000  0.7897  1
  P  P1  4  0.1556  0.0000  0.2000  1
  W  W2  4  0.1816  0.0000  0.6070  1
]