data_[Y1B4W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1286]
_cell_length_b [3.2302]
_cell_length_c [9.4517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [YB4W3]
_chemical_formula_sum '[Y1 B4 W3]'
_cell_volume [95.5207]
_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
[
  Y  Y0  1  0.0000  0.0000  0.1502  1.0
  B  B1  1  0.0000  0.0000  0.4621  1.0
  B  B2  1  0.0000  0.5000  0.9187  1.0
  B  B3  1  0.5000  0.0000  0.5739  1.0
  B  B4  1  0.5000  0.5000  0.0049  1.0
  W  W5  1  0.0000  0.5000  0.6526  1.0
  W  W6  1  0.5000  0.0000  0.8392  1.0
  W  W7  1  0.5000  0.5000  0.3984  1.0
]