data_[Rb4Er4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.3706]
_cell_length_b [3.9067]
_cell_length_c [14.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbErCoS3]
_chemical_formula_sum '[Rb4 Er4 Co4 S12]'
_cell_volume [599.7483]
_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  0.2417  0.7500  0.5100  1
  Er  Er1  4  0.0092  0.2500  0.7515  1
  Co  Co2  4  0.2408  0.2500  0.2852  1
  S  S3  4  0.0572  0.2500  0.3663  1
  S  S4  4  0.0772  0.7500  0.8681  1
  S  S5  4  0.2414  0.7500  0.1970  1
]