data_[Ce4Pr6Y12Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2750]
_cell_length_b [10.8469]
_cell_length_c [11.8650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Pr3Y6Er]
_chemical_formula_sum '[Ce4 Pr6 Y12 Er2]'
_cell_volume [795.2619]
_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
[
  Ce  Ce0  4  0.0000  0.3333  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1659  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  8  0.2493  0.1677  0.2446  1.0
  Y  Y4  4  0.2464  0.5000  0.2450  1.0
  Er  Er5  2  0.0000  0.0000  0.0000  1.0
]