data_[Y12Ho3Mg3S24]
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
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9761]
_cell_length_b [7.9761]
_cell_length_c [19.5322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y4HoMgS8]
_chemical_formula_sum '[Y12 Ho3 Mg3 S24]'
_cell_volume [1076.1265]
_cell_formula_units_Z [3]
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  9  0.1705  0.3411  0.8324  1.0
  Y  Y1  3  0.0000  0.0000  0.6248  1.0
  Ho  Ho2  3  0.0000  0.0000  0.0030  1.0
  Mg  Mg3  3  0.0000  0.0000  0.3749  1.0
  S  S4  9  0.0104  0.5052  0.7507  1.0
  S  S5  9  0.1785  0.3569  0.5811  1.0
  S  S6  3  0.0000  0.0000  0.2465  1.0
  S  S7  3  0.0000  0.0000  0.7582  1.0
]