data_[Sm4Er4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [12.8719]
_cell_length_b [3.8566]
_cell_length_c [6.8061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Er2S3]
_chemical_formula_sum '[Sm4 Er4 S6]'
_cell_volume [333.3391]
_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
[
  Sm  Sm0  4  0.1250  0.0000  0.3820  1
  Er  Er1  4  0.1261  0.5000  0.8829  1
  S  S2  4  0.2488  0.5000  0.2390  1
  S  S3  2  0.0000  0.0000  0.0000  1
]