data_BaMnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   149.14
_cell_angle_beta   149.14
_cell_angle_gamma   44.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnSn
_chemical_formula_sum   'Ba1 Mn1 Sn1'
_cell_volume   76.66
_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  0.08  1.0
  Mn  Mn1  1  0.0  0.0  0.73  1.0
  Sn  Sn2  1  0.0  0.0  0.49  1.0

data_BaMnSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMnSn
_chemical_formula_sum   'Ba2 Mn2 Sn2'
_cell_volume   153.32
_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  0.08  0.0  0.08  1.0
  Mn  Mn1  2  0.23  0.5  0.73  1.0
  Sn  Sn2  2  0.49  0.0  0.49  1.0

Ba Mn Sn
Ba Mn Sn 0 1 o o - 0 2 o o o 1 2 o o o 