data_[Zr8Ta6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6652]
_cell_length_b [4.7989]
_cell_length_c [8.5369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr4Ta3]
_chemical_formula_sum '[Zr8 Ta6]'
_cell_volume [291.3563]
_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
[
  Zr  Zr0  2  0.0712  0.2500  0.1242  1
  Zr  Zr1  2  0.0888  0.7500  0.5956  1
  Zr  Zr2  2  0.1846  0.2500  0.8153  1
  Zr  Zr3  2  0.3753  0.7500  0.0385  1
  Ta  Ta4  2  0.2550  0.7500  0.3342  1
  Ta  Ta5  2  0.3565  0.2500  0.5375  1
  Ta  Ta6  2  0.4883  0.2500  0.2727  1
]