data_[Ta4Be4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7299]
_cell_length_b [3.0254]
_cell_length_c [15.6844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TaBeAg]
_chemical_formula_sum '[Ta4 Be4 Ag4]'
_cell_volume [176.9857]
_cell_formula_units_Z [4]
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
[
  Ta  Ta0  2  0.0000  0.0000  0.5892  1
  Ta  Ta1  2  0.5000  0.0000  0.1934  1
  Be  Be2  2  0.0000  0.0000  0.9516  1
  Be  Be3  2  0.5000  0.0000  0.0284  1
  Ag  Ag4  2  0.0000  0.0000  0.7966  1
  Ag  Ag5  2  0.5000  0.0000  0.4036  1
]