data_[Ca8Pm2Pr6]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3594]
_cell_length_b [10.7177]
_cell_length_c [10.7446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca4PmPr3]
_chemical_formula_sum '[Ca8 Pm2 Pr6]'
_cell_volume [617.1709]
_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  4  0.0000  0.2507  0.1335  1
  Ca  Ca1  2  0.0000  0.0000  0.8658  1
  Ca  Ca2  2  0.0000  0.5000  0.8671  1
  Pr  Pr3  4  0.0000  0.2497  0.6117  1
  Pr  Pr4  2  0.0000  0.0000  0.3882  1
  Pm  Pm5  2  0.0000  0.5000  0.3887  1
]