data_[Ca1Nd7Ho3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.2460]
_cell_length_b [7.2460]
_cell_length_c [8.7543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CaNd7Ho3]
_chemical_formula_sum '[Ca1 Nd7 Ho3]'
_cell_volume [398.0633]
_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  0.0000  0.0000  0.5552  1
  Nd  Nd1  3  0.0030  0.5015  0.5439  1
  Nd  Nd2  3  0.3380  0.1690  0.8951  1
  Nd  Nd3  1  0.3333  0.6667  0.8750  1
  Ho  Ho4  3  0.1689  0.3378  0.2126  1
]