data_LaMn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   42.03
_cell_angle_beta   42.03
_cell_angle_gamma   42.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Si
_chemical_formula_sum   'La1 Mn2 Si1'
_cell_volume   75.56
_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
  La  La0  1  0.0  0.0  0.8  1.0
  Mn  Mn1  1  0.0  0.0  0.04  1.0
  Mn  Mn2  1  0.0  0.0  0.55  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_LaMn2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   4.1
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   114.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMn2Si
_chemical_formula_sum   'La2 Mn4 Si2'
_cell_volume   151.11
_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
  La  La0  2  0.0  0.0  0.8  1.0
  Mn  Mn1  2  0.0  0.0  0.04  1.0
  Mn  Mn2  2  0.0  0.0  0.55  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

La Mn Mn Si