data_[Ca2Ho2Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6988]
_cell_length_b [5.5785]
_cell_length_c [5.3647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaHoTi2O6]
_chemical_formula_sum '[Ca2 Ho2 Ti4 O12]'
_cell_volume [230.4009]
_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  0.1974  0.4886  1.0
  Ho  Ho1  2  0.0000  0.6858  0.0184  1.0
  Ti  Ti2  4  0.2499  0.2463  0.0004  1.0
  O  O3  4  0.1960  0.9470  0.1935  1.0
  O  O4  4  0.2008  0.4619  0.2911  1.0
  O  O5  2  0.0000  0.2838  0.9136  1.0
  O  O6  2  0.0000  0.7781  0.6095  1.0
]