data_[Lu2Cu2Si6]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0828]
_cell_length_b [3.8966]
_cell_length_c [10.6121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LuCuSi3]
_chemical_formula_sum '[Lu2 Cu2 Si6]'
_cell_volume [166.0288]
_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  0.3302  0.0000  0.1595  1.0
  Si  Si1  2  0.0240  0.0000  0.3920  1.0
  Cu  Cu2  2  0.1571  0.5000  0.7259  1.0
  Si  Si3  2  0.2209  0.5000  0.9433  1.0
  Si  Si4  2  0.4134  0.5000  0.3879  1.0
]