data_[Lu2Cu6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2662]
_cell_length_b [5.4527]
_cell_length_c [19.7845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LuCu3As2]
_chemical_formula_sum '[Lu2 Cu6 As4]'
_cell_volume [568.1110]
_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
[
  Lu  Lu0  2  0.0158  0.0000  0.5084  1
  Cu  Cu1  4  0.2659  0.2498  0.3866  1
  Cu  Cu2  2  0.0164  0.5000  0.4614  1
  As  As3  4  0.2506  0.2743  0.6285  1
]