data_[Ca1Pm8Pr3]
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 [Pm]
_cell_length_a [10.0168]
_cell_length_b [3.6287]
_cell_length_c [11.7274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaPm8Pr3]
_chemical_formula_sum '[Ca1 Pm8 Pr3]'
_cell_volume [426.2420]
_cell_formula_units_Z [1]
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  1  0.4975  0.0000  0.5386  1
  Pr  Pr1  1  0.0297  0.0000  0.2922  1
  Pm  Pm2  1  0.1605  0.5000  0.5435  1
  Pm  Pm3  1  0.1670  0.5000  0.0415  1
  Pm  Pm4  1  0.3003  0.0000  0.7991  1
  Pr  Pr5  1  0.3472  0.5000  0.2941  1
  Pm  Pm6  1  0.4896  0.0000  0.0588  1
  Pm  Pm7  1  0.6321  0.5000  0.8079  1
  Pm  Pm8  1  0.7035  0.5000  0.2851  1
  Pm  Pm9  1  0.8379  0.0000  0.0298  1
  Pm  Pm10  1  0.8483  0.0000  0.5515  1
  Pr  Pr11  1  0.9827  0.5000  0.7915  1
]