data_[Ta2Be4Ag2]
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 [C2/m]
_cell_length_a [7.3298]
_cell_length_b [2.8886]
_cell_length_c [5.2857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaBe2Ag]
_chemical_formula_sum '[Ta2 Be4 Ag2]'
_cell_volume [109.4053]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.5000  1
  Be  Be1  4  0.2438  0.0000  0.2169  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
]