data_[Ca2Pm4Nd4Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4895]
_cell_length_b [5.1483]
_cell_length_c [8.1778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPm2(NdEr)2]
_chemical_formula_sum '[Ca2 Pm4 Nd4 Er4]'
_cell_volume [478.6485]
_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  2  0.0000  0.0000  0.0000  1
  Pm  Pm1  4  0.1441  0.0000  0.4327  1
  Nd  Nd2  4  0.2166  0.5000  0.1486  1
  Er  Er3  4  0.0752  0.5000  0.7043  1
]