data_[Sr4Y4Cu4Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9786]
_cell_length_b [13.3892]
_cell_length_c [10.5347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrYCuSeS2]
_chemical_formula_sum '[Sr4 Y4 Cu4 Se4 S8]'
_cell_volume [561.1912]
_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
[
  Sr  Sr0  4  0.0000  0.2350  0.7500  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4742  0.2500  1
  Se  Se3  4  0.0000  0.0872  0.2500  1
  S  S4  8  0.0000  0.3695  0.0732  1
]