data_[Ce6Y2Er4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0254]
_cell_length_b [12.1701]
_cell_length_c [7.0009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Y(ErP3)2]
_chemical_formula_sum '[Ce6 Y2 Er4 P12]'
_cell_volume [564.1230]
_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  0.1663  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3333  0.0000  1.0
  P  P4  8  0.2492  0.8324  0.2452  1.0
  P  P5  4  0.2466  0.5000  0.2449  1.0
]