data_[Be1Ir1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ir  2.2000  1.3500  0.7650
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7611]
_cell_length_b [3.9919]
_cell_length_c [5.2792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeIrW2]
_chemical_formula_sum '[Be1 Ir1 W2]'
_cell_volume [56.6322]
_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
[
  Be  Be0  1  0.3151  0.0000  0.4842  1
  Ir  Ir1  1  0.4274  0.5000  0.7434  1
  W  W2  1  0.0201  0.0000  0.9832  1
  W  W3  1  0.7374  0.5000  0.2892  1
]