data_BaMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.53
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnSi2
_chemical_formula_sum   'Ba1 Mn1 Si2'
_cell_volume   84.76
_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
  Ba  Ba0  1  0.16  0.77  0.47  1.0
  Mn  Mn1  1  0.32  0.0  0.35  1.0
  Si  Si2  1  0.46  0.77  0.54  1.0
  Si  Si3  1  0.33  0.0  0.46  1.0

data_BaMnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.66
_cell_length_c   6.55
_cell_angle_alpha   91.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnSi2
_chemical_formula_sum   'Ba1 Mn1 Si2'
_cell_volume   84.76
_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
  Ba  Ba0  1  0.23  0.84  0.53  1.0
  Mn  Mn1  1  0.0  0.68  0.65  1.0
  Si  Si2  1  0.0  0.67  0.54  1.0
  Si  Si3  1  0.23  0.54  0.46  1.0

Ba Mn Si Si