data_[Eu4P4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0361]
_cell_length_b [7.8298]
_cell_length_c [11.8383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [EuPSe3]
_chemical_formula_sum '[Eu4 P4 Se12]'
_cell_volume [537.0551]
_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  0.2853  0.6138  0.2484  1.0
  P  P1  4  0.3736  0.1054  0.4356  1.0
  Se  Se2  4  0.1202  0.5075  0.7315  1.0
  Se  Se3  4  0.2226  0.1984  0.5464  1.0
  Se  Se4  4  0.3979  0.6931  0.5576  1.0
]