data_[Er4Cu4Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1574]
_cell_length_b [3.8808]
_cell_length_c [12.7762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErCuSnS3]
_chemical_formula_sum '[Er4 Cu4 Sn4 S12]'
_cell_volume [503.6297]
_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
[
  Er  Er0  4  0.0189  0.7500  0.7609  1
  Cu  Cu1  4  0.2348  0.7500  0.2795  1
  Sn  Sn2  4  0.2173  0.2500  0.4988  1
  S  S3  4  0.0452  0.7500  0.3836  1
  S  S4  4  0.0906  0.2500  0.8949  1
  S  S5  4  0.2365  0.2500  0.1707  1
]