data_[Rb4Ho4Mg4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7384]
_cell_length_b [4.0869]
_cell_length_c [14.8986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbHoMgS3]
_chemical_formula_sum '[Rb4 Ho4 Mg4 S12]'
_cell_volume [653.8485]
_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  0.2441  0.7500  0.5093  1
  Ho  Ho1  4  0.0070  0.2500  0.7513  1
  Mg  Mg2  4  0.2429  0.2500  0.2866  1
  S  S3  4  0.0491  0.2500  0.3661  1
  S  S4  4  0.0644  0.7500  0.8675  1
  S  S5  4  0.2433  0.7500  0.1941  1
]