data_[Ta2Re2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8734]
_cell_length_b [3.2419]
_cell_length_c [5.2888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaReSb2]
_chemical_formula_sum '[Ta2 Re2 Sb4]'
_cell_volume [157.5725]
_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  0.4721  0.0000  0.5488  1
  Re  Re1  2  0.2693  0.5000  0.1763  1
  Sb  Sb2  2  0.0240  0.0000  0.0625  1
  Sb  Sb3  2  0.2346  0.0000  0.7124  1
]