data_[Ho2Er1Mn1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [6.5567]
_cell_length_b [6.6741]
_cell_length_c [7.0100]
_cell_angle_alpha [62.2823]
_cell_angle_beta [89.8366]
_cell_angle_gamma [62.2075]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho2ErMnS6]
_chemical_formula_sum '[Ho2 Er1 Mn1 S6]'
_cell_volume [231.0841]
_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
[
  Ho  Ho0  1  0.4813  0.0451  0.4377  1.0
  Ho  Ho1  1  0.9787  0.0468  0.9483  1.0
  Er  Er2  1  0.1842  0.6317  0.5476  1.0
  Mn  Mn3  1  0.6783  0.6432  0.0328  1.0
  S  S4  1  0.0589  0.1427  0.2662  1.0
  S  S5  1  0.2965  0.1367  0.7530  1.0
  S  S6  1  0.4102  0.5436  0.2377  1.0
  S  S7  1  0.5798  0.5378  0.7713  1.0
  S  S8  1  0.7842  0.7924  0.2472  1.0
  S  S9  1  0.8863  0.8032  0.7734  1.0
]