data_[Ca4Pm8Pr24Er4]
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
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4222]
_cell_length_b [15.6545]
_cell_length_c [9.8534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaPm2Pr6Er]
_chemical_formula_sum '[Ca4 Pm8 Pr24 Er4]'
_cell_volume [1444.2432]
_cell_formula_units_Z [4]
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  4  0.0000  0.0253  0.7500  1
  Pr  Pr1  8  0.0587  0.1883  0.4453  1
  Pr  Pr2  8  0.1043  0.3947  0.6173  1
  Pr  Pr3  8  0.2129  0.2272  0.8149  1
  Pm  Pm4  8  0.2472  0.4460  0.9548  1
  Er  Er5  4  0.0000  0.4093  0.2500  1
]