data_[Ba2La1Ho1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2838]
_cell_length_b [4.2118]
_cell_length_c [7.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2LaHoS4]
_chemical_formula_sum '[Ba2 La1 Ho1 S4]'
_cell_volume [219.5587]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.5000  1.0
  Ba  Ba1  1  0.5000  0.0000  0.5000  1.0
  La  La2  1  0.5000  0.5000  0.0000  1.0
  Ho  Ho3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2259  0.5000  0.2112  1.0
  S  S5  2  0.2483  0.0000  0.7828  1.0
]