data_[Ca10Y2Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [15.0779]
_cell_length_b [6.3963]
_cell_length_c [8.9914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5YBi5]
_chemical_formula_sum '[Ca10 Y2 Bi10]'
_cell_volume [825.3097]
_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
[
  Ca  Ca0  4  0.1790  0.5000  0.8558  1
  Ca  Ca1  4  0.1829  0.5000  0.3221  1
  Ca  Ca2  2  0.0000  0.0000  0.5000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.1517  0.0000  0.8259  1
  Bi  Bi5  4  0.1616  0.0000  0.3309  1
  Bi  Bi6  2  0.0000  0.5000  0.0000  1
]