data_Lu(MnSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   141.15
_cell_angle_beta   141.15
_cell_angle_gamma   56.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(MnSi)2
_chemical_formula_sum   'Lu1 Mn2 Si2'
_cell_volume   75.94
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.93  0.56  1.0
  Mn  Mn2  1  0.93  0.0  0.56  1.0
  Si  Si3  1  0.0  0.0  0.9  1.0
  Si  Si4  1  0.0  0.0  0.33  1.0

data_Lu(MnSi)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   118.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Lu(MnSi)2
_chemical_formula_sum   'Lu2 Mn4 Si4'
_cell_volume   151.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Mn  Mn1  4  0.09  0.46  0.63  1.0
  Si  Si2  2  0.33  0.0  0.33  1.0
  Si  Si3  2  0.4  0.5  0.9  1.0

Lu Mn Mn Si Si