data_[Pr4Er6Tm2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5975]
_cell_length_b [4.5126]
_cell_length_c [9.0456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Er3TmBi6]
_chemical_formula_sum '[Pr4 Er6 Tm2 Bi12]'
_cell_volume [778.3262]
_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
[
  Pr  Pr0  4  0.1654  0.0000  0.3319  1.0
  Er  Er1  4  0.1690  0.0000  0.8341  1.0
  Er  Er2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.0043  0.0000  0.7532  1.0
  Bi  Bi5  4  0.1641  0.5000  0.5904  1.0
  Bi  Bi6  4  0.1653  0.5000  0.0733  1.0
]