data_SrMnSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   148.72
_cell_angle_beta   148.72
_cell_angle_gamma   44.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnSi
_chemical_formula_sum   'Sr1 Mn1 Si1'
_cell_volume   58.51
_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
  Sr  Sr2  1  0.0  0.0  0.41  1.0
  Mn  Mn0  1  0.0  0.0  0.53  1.0
  Si  Si1  1  0.0  0.0  0.31  1.0

data_SrMnSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   112.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMnSi
_chemical_formula_sum   'Sr2 Mn2 Si2'
_cell_volume   117.02
_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
  Sr  Sr0  2  0.41  0.0  0.41  1.0
  Mn  Mn1  2  0.03  0.5  0.53  1.0
  Si  Si2  2  0.31  0.0  0.31  1.0

Sr Mn Si