data_[Ga40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.6537]
_cell_length_b [13.7032]
_cell_length_c [5.2756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ga]
_chemical_formula_sum '[Ga40]'
_cell_volume [770.1937]
_cell_formula_units_Z [40]
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
[
  Ga  Ga0  8  0.0000  0.3930  0.5026  1.0
  Ga  Ga1  8  0.1256  0.2062  0.7500  1.0
  Ga  Ga2  8  0.2226  0.4491  0.2500  1.0
  Ga  Ga3  8  0.2276  0.1392  0.2500  1.0
  Ga  Ga4  4  0.0000  0.0005  0.7500  1.0
  Ga  Ga5  4  0.0000  0.2140  0.2500  1.0
]