data_[Ba6Zn4Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8654]
_cell_length_b [4.3582]
_cell_length_c [6.0342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Zn2Ga3]
_chemical_formula_sum '[Ba6 Zn4 Ga6]'
_cell_volume [490.8597]
_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
[
  Ba  Ba0  4  0.1466  0.0000  0.5527  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.2242  0.0000  0.0864  1.0
  Ga  Ga3  4  0.1481  0.5000  0.0686  1.0
  Ga  Ga4  2  0.0000  0.5000  0.5000  1.0
]