data_[Ca4Ac12Pm2Pr6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7471]
_cell_length_b [11.6989]
_cell_length_c [12.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ac6PmPr3]
_chemical_formula_sum '[Ca4 Ac12 Pm2 Pr6]'
_cell_volume [985.1702]
_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  0.3332  0.0000  1
  Ac  Ac1  8  0.2481  0.1644  0.2534  1
  Ac  Ac2  4  0.2453  0.0000  0.7478  1
  Pr  Pr3  4  0.0000  0.1654  0.5000  1
  Pm  Pm4  2  0.0000  0.0000  0.0000  1
  Pr  Pr5  2  0.0000  0.5000  0.5000  1
]