data_[Y6Ho4Sc2Bi12]
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
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3064]
_cell_length_b [4.4471]
_cell_length_c [8.9252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Ho2ScBi6]
_chemical_formula_sum '[Y6 Ho4 Sc2 Bi12]'
_cell_volume [745.4180]
_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
[
  Y  Y0  4  0.1685  0.0000  0.8341  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  4  0.1658  0.0000  0.3323  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.0007  0.0000  0.7605  1.0
  Bi  Bi5  4  0.1623  0.5000  0.0817  1.0
  Bi  Bi6  4  0.1671  0.5000  0.5823  1.0
]