data_[Dy12Bi2P4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0100]
_cell_length_b [4.1018]
_cell_length_c [8.3165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6BiP2Se3]
_chemical_formula_sum '[Dy12 Bi2 P4 Se6]'
_cell_volume [598.4650]
_cell_formula_units_Z [2]
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
[
  Dy  Dy0  4  0.0105  0.0000  0.2700  1
  Dy  Dy1  4  0.1734  0.5000  0.5733  1
  Dy  Dy2  4  0.1747  0.5000  0.1114  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.1687  0.0000  0.3381  1
  Se  Se5  4  0.1623  0.0000  0.8341  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]