data_[Er10Zr2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6378]
_cell_length_b [13.2209]
_cell_length_c [7.6334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5ZrBi6]
_chemical_formula_sum '[Er10 Zr2 Bi12]'
_cell_volume [726.3824]
_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
[
  Er  Er0  4  0.0000  0.1701  0.5000  1
  Er  Er1  4  0.0000  0.3347  0.0000  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Zr  Zr3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  8  0.2447  0.1636  0.2448  1
  Bi  Bi5  4  0.2429  0.0000  0.7511  1
]