data_[Eu4P4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Eu  1.2000  1.8500  1.1985
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6940]
_cell_length_b [7.5801]
_cell_length_c [11.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [EuPS3]
_chemical_formula_sum '[Eu4 P4 S12]'
_cell_volume [474.0742]
_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
[
  Eu  Eu0  4  0.2100  0.1175  0.7501  1.0
  P  P1  4  0.1328  0.6072  0.5665  1.0
  S  S2  4  0.0845  0.1978  0.4385  1.0
  S  S3  4  0.2793  0.6880  0.4584  1.0
  S  S4  4  0.3724  0.0015  0.2623  1.0
]