data_[Be2In2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3200]
_cell_length_b [2.7731]
_cell_length_c [5.0228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeInW2]
_chemical_formula_sum '[Be2 In2 W4]'
_cell_volume [128.4693]
_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  0.0100  0.5000  0.5061  1
  In  In1  2  0.2540  0.5000  0.2669  1
  W  W2  2  0.2386  0.0000  0.7508  1
  W  W3  2  0.4974  0.5000  0.9763  1
]