data_[Ca2Pm10Mg12]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4819]
_cell_length_b [16.4452]
_cell_length_c [7.7655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaPm5Mg6]
_chemical_formula_sum '[Ca2 Pm10 Mg12]'
_cell_volume [700.0605]
_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  0.0000  0.3329  0.0000  1
  Pm  Pm2  4  0.0000  0.3330  0.5000  1
  Pm  Pm3  2  0.0000  0.0000  0.5000  1
  Mg  Mg4  8  0.0000  0.1674  0.2529  1
  Mg  Mg5  4  0.0000  0.5000  0.2529  1
]