data_[Ho12Ga2C4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7704]
_cell_length_b [3.7512]
_cell_length_c [7.8966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6GaC2S3]
_chemical_formula_sum '[Ho12 Ga2 C4 S6]'
_cell_volume [484.8257]
_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
[
  Ho  Ho0  4  0.0185  0.0000  0.2726  1
  Ho  Ho1  4  0.1735  0.5000  0.1250  1
  Ho  Ho2  4  0.1763  0.5000  0.5651  1
  Ga  Ga3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.1717  0.0000  0.3429  1
  S  S5  4  0.1628  0.0000  0.8331  1
  S  S6  2  0.0000  0.5000  0.5000  1
]