data_BaMnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   21.34
_cell_angle_beta   21.34
_cell_angle_gamma   21.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnSn2
_chemical_formula_sum   'Ba1 Mn1 Sn2'
_cell_volume   105.66
_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  0.0  0.0  0.76  1.0
  Mn  Mn1  1  0.0  0.0  0.95  1.0
  Sn  Sn2  1  0.0  0.0  0.43  1.0
  Sn  Sn3  1  0.0  0.0  0.47  1.0

data_BaMnSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   3.59
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   102.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMnSn2
_chemical_formula_sum   'Ba2 Mn2 Sn4'
_cell_volume   211.31
_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
  Ba  Ba0  2  -0.0  0.0  0.24  1.0
  Mn  Mn1  2  -0.0  0.0  0.05  1.0
  Sn  Sn2  2  -0.0  0.0  0.57  1.0
  Sn  Sn3  2  0.0  0.0  0.53  1.0

Ba Mn Sn Sn