data_[Zr8Mn8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4610]
_cell_length_b [5.1396]
_cell_length_c [8.7889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrMnGa]
_chemical_formula_sum '[Zr8 Mn8 Ga8]'
_cell_volume [382.1946]
_cell_formula_units_Z [8]
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  0.1922  0.0000  0.6654  1.0
  Zr  Zr1  4  0.3238  0.0000  0.3296  1.0
  Mn  Mn2  4  0.5000  0.2199  0.5950  1.0
  Mn  Mn3  2  0.0000  0.0000  0.1647  1.0
  Mn  Mn4  2  0.5000  0.0000  0.8247  1.0
  Ga  Ga5  4  0.0000  0.2436  0.4106  1.0
  Ga  Ga6  4  0.2673  0.0000  0.0054  1.0
]