data_[Be2P2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7663]
_cell_length_b [2.9007]
_cell_length_c [4.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BePW2]
_chemical_formula_sum '[Be2 P2 W4]'
_cell_volume [105.8085]
_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  0.4884  0.0000  0.5359  1
  P  P1  2  0.2616  0.5000  0.2218  1
  W  W2  2  0.0164  0.0000  0.0559  1
  W  W3  2  0.2336  0.0000  0.6864  1
]