data_[Lu2Cu2Si4]
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_1/m]
_cell_length_a [3.9514]
_cell_length_b [3.9517]
_cell_length_c [8.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuCuSi2]
_chemical_formula_sum '[Lu2 Cu2 Si4]'
_cell_volume [131.7928]
_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  0.4101  0.2500  0.2996  1.0
  Si  Si1  2  0.0411  0.2500  0.5724  1.0
  Cu  Cu2  2  0.1390  0.2500  0.8410  1.0
  Si  Si3  2  0.2815  0.7500  0.0010  1.0
]