data_[La8Ho4Mg4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1644]
_cell_length_b [17.6008]
_cell_length_c [12.7080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2HoMgSe5]
_chemical_formula_sum '[La8 Ho4 Mg4 Se20]'
_cell_volume [931.4638]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0000  0.1106  0.6862  1.0
  La  La1  4  0.0000  0.1349  0.3058  1.0
  Ho  Ho2  4  0.0000  0.2056  0.0115  1.0
  Mg  Mg3  4  0.0000  0.4644  0.4578  1.0
  Se  Se4  4  0.0000  0.0501  0.0668  1.0
  Se  Se5  4  0.0000  0.2846  0.6662  1.0
  Se  Se6  4  0.0000  0.3156  0.3585  1.0
  Se  Se7  4  0.0000  0.3660  0.0003  1.0
  Se  Se8  4  0.0000  0.4921  0.7711  1.0
]