data_[Y1Os1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9143]
_cell_length_b [4.4258]
_cell_length_c [5.6448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YOsW2]
_chemical_formula_sum '[Y1 Os1 W2]'
_cell_volume [71.7109]
_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  0.5002  0.0000  0.5062  1
  Os  Os1  1  0.2410  0.5000  0.7774  1
  W  W2  1  0.7693  0.5000  0.2165  1
  W  W3  1  0.9896  0.0000  0.9999  1
]