data_[Zr4Ga6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8846]
_cell_length_b [4.1778]
_cell_length_c [6.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.4231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr2Ga3Ni]
_chemical_formula_sum '[Zr4 Ga6 Ni2]'
_cell_volume [203.5878]
_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  0.0362  0.5000  0.2785  1.0
  Zr  Zr1  2  0.4575  0.0000  0.7030  1.0
  Ga  Ga2  2  0.1613  0.0000  0.1060  1.0
  Ga  Ga3  2  0.3224  0.5000  0.8597  1.0
  Ga  Ga4  2  0.3541  0.5000  0.3272  1.0
  Ni  Ni5  2  0.1685  0.0000  0.7257  1.0
]