data_[Zr10Ga12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5612]
_cell_length_b [12.0288]
_cell_length_c [6.9530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5Ga6]
_chemical_formula_sum '[Zr10 Ga12]'
_cell_volume [432.6642]
_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  0.2843  0.5000  1
  Zr  Zr1  4  0.0000  0.3505  0.0000  1
  Zr  Zr2  2  0.0000  0.0000  0.5000  1
  Ga  Ga3  8  0.0526  0.1373  0.1917  1
  Ga  Ga4  4  0.0545  0.5000  0.7000  1
]