data_[Zr4Ga5Co2]
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 [P2/m]
_cell_length_a [6.8940]
_cell_length_b [3.2395]
_cell_length_c [8.6929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr4Ga5Co2]
_chemical_formula_sum '[Zr4 Ga5 Co2]'
_cell_volume [193.6073]
_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  2  0.1731  0.5000  0.8624  1.0
  Zr  Zr1  2  0.2332  0.5000  0.4432  1.0
  Ga  Ga2  2  0.1774  0.0000  0.1543  1.0
  Ga  Ga3  2  0.4485  0.0000  0.6867  1.0
  Ga  Ga4  1  0.5000  0.0000  0.0000  1.0
  Co  Co5  2  0.0735  0.0000  0.6401  1.0
]