data_[Dy2Mg2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8708]
_cell_length_b [3.8791]
_cell_length_c [8.7269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [DyMgCuSe3]
_chemical_formula_sum '[Dy2 Mg2 Cu2 Se6]'
_cell_volume [260.6905]
_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  2  0.1833  0.2500  0.2475  1.0
  Mg  Mg1  2  0.3383  0.7500  0.8388  1.0
  Cu  Cu2  2  0.0772  0.2500  0.5789  1.0
  Se  Se3  2  0.0909  0.2500  0.8638  1.0
  Se  Se4  2  0.2521  0.7500  0.5125  1.0
  Se  Se5  2  0.4154  0.7500  0.1532  1.0
]