data_[Dy1Mn1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4781]
_cell_length_b [5.4932]
_cell_length_c [5.7266]
_cell_angle_alpha [90.0177]
_cell_angle_beta [118.0989]
_cell_angle_gamma [118.4366]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyMnF6]
_chemical_formula_sum '[Dy1 Mn1 F6]'
_cell_volume [127.9484]
_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
[
  Dy  Dy0  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.0966  0.8672  0.7675  1.0
  F  F3  2  0.0994  0.7691  0.2296  1.0
  F  F4  2  0.4882  0.3441  0.2467  1.0
]