data_[K6Sr2Er4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1467]
_cell_length_b [12.3805]
_cell_length_c [7.7633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Sr(ErS3)2]
_chemical_formula_sum '[K6 Sr2 Er4 S12]'
_cell_volume [653.2758]
_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
[
  K  K0  4  0.0000  0.1621  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3331  0.0000  1.0
  S  S4  8  0.2474  0.1788  0.2045  1.0
  S  S5  4  0.2112  0.5000  0.2040  1.0
]