data_[Li1Ho2Mo1O6]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5128]
_cell_length_b [5.5467]
_cell_length_c [5.8872]
_cell_angle_alpha [61.9979]
_cell_angle_beta [89.3380]
_cell_angle_gamma [60.2340]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiHo2MoO6]
_chemical_formula_sum '[Li1 Ho2 Mo1 O6]'
_cell_volume [132.0818]
_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  0.2126  0.5663  0.6508  1.0
  Ho  Ho1  1  0.4698  0.0469  0.4216  1.0
  Ho  Ho2  1  0.9709  0.0560  0.9303  1.0
  Mo  Mo3  1  0.6776  0.6436  0.0357  1.0
  O  O4  1  0.0395  0.1869  0.2317  1.0
  O  O5  1  0.3127  0.1169  0.7667  1.0
  O  O6  1  0.4249  0.5443  0.2207  1.0
  O  O7  1  0.5732  0.5502  0.7545  1.0
  O  O8  1  0.7835  0.8033  0.2342  1.0
  O  O9  1  0.8737  0.8088  0.7691  1.0
]