data_[Be4Te2W2]
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 [Cm]
_cell_length_a [9.4715]
_cell_length_b [3.4191]
_cell_length_c [3.6811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2TeW]
_chemical_formula_sum '[Be4 Te2 W2]'
_cell_volume [118.5989]
_cell_formula_units_Z [2]
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  2  0.2784  0.5000  0.2873  1
  Be  Be1  2  0.4453  0.5000  0.9170  1
  Te  Te2  2  0.0268  0.5000  0.5114  1
  W  W3  2  0.2495  0.0000  0.7843  1
]