data_[Lu4As4Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2398]
_cell_length_b [4.2398]
_cell_length_c [15.2863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [LuAsPt]
_chemical_formula_sum '[Lu4 As4 Pt4]'
_cell_volume [237.9647]
_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  2  0.0000  0.0000  0.0000  1.0
  Lu  Lu1  2  0.0000  0.0000  0.2500  1.0
  As  As2  4  0.3333  0.6667  0.3877  1.0
  Pt  Pt3  4  0.3333  0.6667  0.8609  1.0
]