data_[Zr10Nb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0580]
_cell_length_b [15.2119]
_cell_length_c [3.4942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr5Nb]
_chemical_formula_sum '[Zr10 Nb2]'
_cell_volume [268.8527]
_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  4  0.0000  0.1491  0.5000  1.0
  Zr  Zr1  4  0.0000  0.3254  0.0000  1.0
  Zr  Zr2  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
]