data_[Li1Ho2Cu1Si4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0225]
_cell_length_b [7.1237]
_cell_length_c [7.7810]
_cell_angle_alpha [65.1060]
_cell_angle_beta [85.4971]
_cell_angle_gamma [77.2320]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiHo2Cu(SiO3)4]
_chemical_formula_sum '[Li1 Ho2 Cu1 Si4 O12]'
_cell_volume [246.2520]
_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
[
  Li  Li0  1  0.8938  0.3265  0.0069  1.0
  Ho  Ho1  1  0.0133  0.7850  0.4326  1.0
  Ho  Ho2  1  0.9782  0.2205  0.5735  1.0
  Cu  Cu3  1  0.0114  0.9497  0.0063  1.0
  Si  Si4  1  0.4140  0.4163  0.7826  1.0
  Si  Si5  1  0.4347  0.1826  0.2175  1.0
  Si  Si6  1  0.5501  0.8226  0.7818  1.0
  Si  Si7  1  0.5778  0.5941  0.2159  1.0
  O  O8  1  0.1920  0.4390  0.6319  1.0
  O  O9  1  0.1959  0.0889  0.3606  1.0
  O  O10  1  0.2847  0.3328  0.0020  1.0
  O  O11  1  0.2879  0.9947  0.7941  1.0
  O  O12  1  0.3007  0.7565  0.2171  1.0
  O  O13  1  0.4366  0.6690  0.7041  1.0
  O  O14  1  0.5338  0.3475  0.2882  1.0
  O  O15  1  0.6925  0.6537  0.9946  1.0
  O  O16  1  0.7169  0.0292  0.1988  1.0
  O  O17  1  0.7181  0.2761  0.7990  1.0
  O  O18  1  0.7873  0.9222  0.6389  1.0
  O  O19  1  0.8136  0.5635  0.3621  1.0
]