data_[Ga6Cl7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [10.5815]
_cell_length_b [10.5815]
_cell_length_c [19.6417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ga6Cl7]
_chemical_formula_sum '[Ga6 Cl7]'
_cell_volume [1904.6186]
_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
[
  Ga  Ga0  3  0.0000  0.8236  0.5861  1
  Ga  Ga1  2  0.3333  0.6667  0.4458  1
  Ga  Ga2  1  0.0000  0.0000  0.4817  1
  Cl  Cl3  6  0.2111  0.4343  0.4477  1
  Cl  Cl4  1  0.0000  0.0000  0.6822  1
]