data_[Zr8Ga12Co16]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.1642]
_cell_length_b [14.5213]
_cell_length_c [6.9118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Zr2Ga3Co4]
_chemical_formula_sum '[Zr8 Ga12 Co16]'
_cell_volume [518.3182]
_cell_formula_units_Z [4]
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  8  0.0000  0.1029  0.5879  1.0
  Ga  Ga1  8  0.2500  0.2357  0.2500  1.0
  Ga  Ga2  4  0.0000  0.0000  0.0000  1.0
  Co  Co3  8  0.0000  0.1707  0.9855  1.0
  Co  Co4  8  0.2500  0.0694  0.2500  1.0
]