data_[Eu5Zr3S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Eu  1.2000  1.8500  1.1985
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [11.7215]
_cell_length_b [11.7215]
_cell_length_c [3.9067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Eu5(ZrS4)3]
_chemical_formula_sum '[Eu5 Zr3 S12]'
_cell_volume [464.8468]
_cell_formula_units_Z [1]
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  3  0.0000  0.2864  0.0000  1.0
  Eu  Eu1  2  0.3333  0.6667  0.0000  1.0
  Zr  Zr2  3  0.0000  0.6753  0.5000  1.0
  S  S3  6  0.1960  0.4485  0.5000  1.0
  S  S4  3  0.0000  0.5326  0.0000  1.0
  S  S5  3  0.0000  0.8232  0.0000  1.0
]