data_[Dy4Mn4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8246]
_cell_length_b [3.8246]
_cell_length_c [17.0644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Dy2Mn2Br]
_chemical_formula_sum '[Dy4 Mn4 Br2]'
_cell_volume [216.1688]
_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  0.0000  0.0000  0.1147  1.0
  Mn  Mn1  4  0.3333  0.6667  0.4897  1.0
  Br  Br2  2  0.3333  0.6667  0.7500  1.0
]