data_[Dy2Er1Mn1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5719]
_cell_length_b [6.6983]
_cell_length_c [7.0126]
_cell_angle_alpha [62.2494]
_cell_angle_beta [89.8597]
_cell_angle_gamma [62.2766]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Dy2ErMnS6]
_chemical_formula_sum '[Dy2 Er1 Mn1 S6]'
_cell_volume [232.6169]
_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  0.4809  0.0467  0.4355  1.0
  Dy  Dy1  1  0.9773  0.0492  0.9454  1.0
  Er  Er2  1  0.1841  0.6317  0.5474  1.0
  Mn  Mn3  1  0.6785  0.6428  0.0331  1.0
  S  S4  1  0.0568  0.1418  0.2676  1.0
  S  S5  1  0.2991  0.1371  0.7538  1.0
  S  S6  1  0.4102  0.5455  0.2380  1.0
  S  S7  1  0.5775  0.5395  0.7718  1.0
  S  S8  1  0.7863  0.7895  0.2480  1.0
  S  S9  1  0.8876  0.7995  0.7747  1.0
]