data_[Ca6Ga4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8540]
_cell_length_b [8.2205]
_cell_length_c [7.0532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(GaCl4)2]
_chemical_formula_sum '[Ca6 Ga4 Cl16]'
_cell_volume [815.7214]
_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
[
  Ca  Ca0  4  0.0000  0.2570  0.0000  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.2144  0.5000  0.6452  1
  Cl  Cl3  8  0.1098  0.2317  0.3970  1
  Cl  Cl4  4  0.1021  0.0000  0.9041  1
  Cl  Cl5  4  0.1095  0.5000  0.9282  1
]