data_BaMgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.56
_cell_angle_alpha   106.25
_cell_angle_beta   106.25
_cell_angle_gamma   51.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgSn2
_chemical_formula_sum   'Ba1 Mg1 Sn2'
_cell_volume   132.57
_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  0.68  0.0  0.12  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.73  0.0  0.28  1.0
  Sn  Sn3  1  0.63  0.0  0.96  1.0

data_BaMgSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   5.21
_cell_length_c   6.56
_cell_angle_alpha   106.25
_cell_angle_beta   90.0
_cell_angle_gamma   115.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgSn2
_chemical_formula_sum   'Ba1 Mg1 Sn2'
_cell_volume   132.57
_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  0.32  0.88  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.27  0.72  1.0
  Sn  Sn3  1  0.0  0.37  0.04  1.0

Ba Mg Sn Sn
Ba Mg Sn Sn 0 3 o o - 0 2 o o o 0 1 + o o 1 3 - o - 