data_[Y28Bi16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2643]
_cell_length_b [4.3565]
_cell_length_c [17.3090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y7Bi4]
_chemical_formula_sum '[Y28 Bi16]'
_cell_volume [1327.9402]
_cell_formula_units_Z [4]
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  0.0016  0.0000  0.8371  1
  Y  Y1  4  0.0702  0.5000  0.6748  1
  Y  Y2  4  0.1627  0.5000  0.4672  1
  Y  Y3  4  0.1766  0.0000  0.0424  1
  Y  Y4  4  0.1945  0.0000  0.8052  1
  Y  Y5  4  0.2083  0.0000  0.2958  1
  Y  Y6  2  0.0000  0.0000  0.5000  1
  Y  Y7  2  0.0000  0.5000  0.0000  1
  Bi  Bi8  4  0.0617  0.0000  0.3498  1
  Bi  Bi9  4  0.1288  0.5000  0.1606  1
  Bi  Bi10  4  0.1322  0.5000  0.9013  1
  Bi  Bi11  4  0.1769  0.0000  0.6078  1
]