data_[Zr3Ni4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7309]
_cell_length_b [4.1802]
_cell_length_c [7.5045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zr3(NiSb)4]
_chemical_formula_sum '[Zr3 Ni4 Sb4]'
_cell_volume [210.9327]
_cell_formula_units_Z [1]
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  1  0.0033  0.5000  0.2251  1
  Zr  Zr1  1  0.4815  0.5000  0.2956  1
  Zr  Zr2  1  0.5088  0.0000  0.7017  1
  Ni  Ni3  1  0.2235  0.0000  0.4168  1
  Ni  Ni4  1  0.3816  0.5000  0.9302  1
  Ni  Ni5  1  0.6271  0.0000  0.0689  1
  Ni  Ni6  1  0.7953  0.5000  0.5771  1
  Sb  Sb7  1  0.1889  0.5000  0.6145  1
  Sb  Sb8  1  0.2400  0.0000  0.0663  1
  Sb  Sb9  1  0.7665  0.5000  0.9029  1
  Sb  Sb10  1  0.7816  0.0000  0.3982  1
]