data_LuCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   4.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuCoGe2
_chemical_formula_sum   'Lu2 Co2 Ge4'
_cell_volume   138.38
_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  Lu6  1  0.02  0.51  0.09  1.0
  Lu  Lu7  1  0.02  0.49  0.03  1.0
  Co  Co0  1  0.02  0.97  0.03  1.0
  Co  Co1  1  0.02  0.03  0.09  1.0
  Ge  Ge2  1  0.02  0.73  0.03  1.0
  Ge  Ge3  1  0.02  0.14  0.09  1.0
  Ge  Ge4  1  0.02  0.86  0.03  1.0
  Ge  Ge5  1  0.02  0.27  0.09  1.0

data_LuCoGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.04
_cell_length_b   4.12
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   103.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LuCoGe2
_chemical_formula_sum   'Lu2 Co2 Ge4'
_cell_volume   138.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.49  0.53  0.99  1.0
  Co  Co1  2  0.03  0.47  0.53  1.0
  Ge  Ge2  2  0.14  0.47  0.64  1.0
  Ge  Ge3  2  0.27  0.47  0.77  1.0

Lu Lu Co Co Ge Ge Ge Ge