data_[Y2Ho1Mn1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5875]
_cell_length_b [6.7133]
_cell_length_c [7.0330]
_cell_angle_alpha [62.2358]
_cell_angle_beta [89.8525]
_cell_angle_gamma [62.2717]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y2HoMnS6]
_chemical_formula_sum '[Y2 Ho1 Mn1 S6]'
_cell_volume [234.3321]
_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
[
  Y  Y0  1  0.4808  0.0465  0.4353  1.0
  Y  Y1  1  0.9780  0.0482  0.9462  1.0
  Ho  Ho2  1  0.1843  0.6314  0.5480  1.0
  Mn  Mn3  1  0.6782  0.6432  0.0329  1.0
  S  S4  1  0.0567  0.1432  0.2666  1.0
  S  S5  1  0.2987  0.1362  0.7538  1.0
  S  S6  1  0.4113  0.5449  0.2376  1.0
  S  S7  1  0.5785  0.5390  0.7727  1.0
  S  S8  1  0.7854  0.7900  0.2473  1.0
  S  S9  1  0.8866  0.8005  0.7748  1.0
]