data_[Rb4Ca4Ga4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4640]
_cell_length_b [4.9571]
_cell_length_c [8.6469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCaGaS3]
_chemical_formula_sum '[Rb4 Ca4 Ga4 S12]'
_cell_volume [642.8677]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.1502  0.5000  0.0601  1
  Ca  Ca1  4  0.1438  0.5000  0.5638  1
  Ga  Ga2  4  0.0133  0.0000  0.2869  1
  S  S3  4  0.0042  0.5000  0.2863  1
  S  S4  4  0.1369  0.0000  0.7545  1
  S  S5  4  0.1642  0.0000  0.3446  1
]