data_[Lu4Ag4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0810]
_cell_length_b [3.5489]
_cell_length_c [7.5473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LuAgH]
_chemical_formula_sum '[Lu4 Ag4 H4]'
_cell_volume [216.1563]
_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
[
  Lu  Lu0  4  0.1649  0.0000  0.8243  1
  Ag  Ag1  4  0.1434  0.0000  0.4005  1
  H  H2  4  0.1510  0.5000  0.9709  1
]