data_[Li2Ho1Bi1Se4]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9694]
_cell_length_b [4.0956]
_cell_length_c [7.1299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2HoBiSe4]
_chemical_formula_sum '[Li2 Ho1 Bi1 Se4]'
_cell_volume [191.2723]
_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  0.5000  0.0000  0.5000  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Ho  Ho2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2538  0.5000  0.2454  1.0
  Se  Se5  2  0.2611  0.0000  0.7616  1.0
]