data_[Zr10Ni2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9064]
_cell_length_b [3.2377]
_cell_length_c [7.6926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr5Ni]
_chemical_formula_sum '[Zr10 Ni2]'
_cell_volume [257.9263]
_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  0.0388  0.0000  0.5862  1.0
  Zr  Zr1  2  0.1733  0.5000  0.9492  1.0
  Zr  Zr2  2  0.2115  0.5000  0.3641  1.0
  Zr  Zr3  2  0.3433  0.0000  0.7315  1.0
  Zr  Zr4  2  0.4127  0.0000  0.2135  1.0
  Ni  Ni5  2  0.4871  0.5000  0.9888  1.0
]