data_[Ca2Pm12Nd4Ho6]
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
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3064]
_cell_length_b [10.9246]
_cell_length_c [12.0052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPm6Nd2Ho3]
_chemical_formula_sum '[Ca2 Pm12 Nd4 Ho6]'
_cell_volume [814.4678]
_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  8  0.2447  0.3310  0.7435  1
  Pm  Pm2  4  0.2485  0.5000  0.2572  1
  Nd  Nd3  4  0.0000  0.3331  0.0000  1
  Ho  Ho4  4  0.0000  0.1659  0.5000  1
  Ho  Ho5  2  0.0000  0.5000  0.5000  1
]