data_[Ca3Y6Ho3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5948]
_cell_length_b [3.5948]
_cell_length_c [36.4393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaY2Ho]
_chemical_formula_sum '[Ca3 Y6 Ho3]'
_cell_volume [407.8125]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4995  1.0
  Y  Y1  3  0.0000  0.0000  0.7450  1.0
  Y  Y2  3  0.0000  0.0000  0.9218  1.0
  Ho  Ho3  3  0.0000  0.0000  0.3337  1.0
]