data_[Y2Mg28Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4820]
_cell_length_b [6.4190]
_cell_length_c [11.3939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YMg14Bi]
_chemical_formula_sum '[Y2 Mg28 Bi2]'
_cell_volume [766.6319]
_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  2  0.5000  0.0000  0.1672  1.0
  Mg  Mg1  8  0.2416  0.2480  0.0812  1.0
  Mg  Mg2  4  0.0000  0.2495  0.9167  1.0
  Mg  Mg3  4  0.2461  0.0000  0.3342  1.0
  Mg  Mg4  4  0.2477  0.0000  0.8360  1.0
  Mg  Mg5  4  0.5000  0.2466  0.4168  1.0
  Mg  Mg6  2  0.0000  0.0000  0.1672  1.0
  Mg  Mg7  2  0.0000  0.0000  0.6674  1.0
  Bi  Bi8  2  0.5000  0.0000  0.6661  1.0
]