data_[Be1Te1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0977]
_cell_length_b [4.4045]
_cell_length_c [5.0937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeTeW2]
_chemical_formula_sum '[Be1 Te1 W2]'
_cell_volume [68.7454]
_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  0.4740  0.0000  0.5343  1
  Te  Te1  1  0.1472  0.5000  0.2908  1
  W  W2  1  0.1215  0.0000  0.9401  1
  W  W3  1  0.7573  0.5000  0.7347  1
]