data_[Ta4Ag2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8185]
_cell_length_b [3.0963]
_cell_length_c [5.2563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2AgBr]
_chemical_formula_sum '[Ta4 Ag2 Br2]'
_cell_volume [155.8484]
_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  4  0.2453  0.0000  0.2839  1
  Ag  Ag1  2  0.0000  0.0000  0.5000  1
  Br  Br2  2  0.0000  0.5000  0.0000  1
]