data_[K6Lu4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Lu  1.2700  1.7500  1.0010
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6414]
_cell_length_b [6.9407]
_cell_length_c [11.2465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K3Lu2As3]
_chemical_formula_sum '[K6 Lu4 As6]'
_cell_volume [564.4962]
_cell_formula_units_Z [2]
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
[
  K  K0  2  0.1340  0.7500  0.6363  1
  K  K1  2  0.3699  0.2500  0.9271  1
  K  K2  2  0.4338  0.2500  0.5620  1
  Lu  Lu3  4  0.1361  0.5017  0.1673  1
  As  As4  2  0.0475  0.7500  0.3261  1
  As  As5  2  0.1484  0.7500  0.9705  1
  As  As6  2  0.4173  0.2500  0.2614  1
]