data_BaMnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   44.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnSn2
_chemical_formula_sum   'Ba1 Mn1 Sn2'
_cell_volume   135.92
_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  0.36  0.0  0.28  1.0
  Mn  Mn1  1  0.0  0.0  0.19  1.0
  Sn  Sn2  1  0.36  0.0  0.84  1.0
  Sn  Sn3  1  0.0  0.0  0.59  1.0

data_BaMnSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.83
_cell_length_c   6.42
_cell_angle_alpha   112.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnSn2
_chemical_formula_sum   'Ba1 Mn1 Sn2'
_cell_volume   135.92
_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  0.64  0.28  0.28  1.0
  Mn  Mn1  1  0.0  0.19  0.19  1.0
  Sn  Sn2  1  0.0  0.59  0.59  1.0
  Sn  Sn3  1  0.64  0.84  0.84  1.0

Ba Mn Sn Sn