data_[Lu5As5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.5005]
_cell_length_b [7.5005]
_cell_length_c [18.5956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [LuAs]
_chemical_formula_sum '[Lu5 As5]'
_cell_volume [905.9897]
_cell_formula_units_Z [5]
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  3  0.0000  0.6304  0.5397  1
  Lu  Lu1  2  0.3333  0.6667  0.4130  1
  As  As2  3  0.0000  0.3047  0.4474  1
  As  As3  2  0.3333  0.6667  0.6064  1
]