data_Ba2CrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   8.43
_cell_angle_alpha   105.22
_cell_angle_beta   105.22
_cell_angle_gamma   58.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrSn
_chemical_formula_sum   'Ba2 Cr1 Sn1'
_cell_volume   167.62
_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  0.08  0.0  0.83  1.0
  Ba  Ba1  1  0.16  0.0  0.2  1.0
  Cr  Cr2  1  0.03  0.0  0.99  1.0
  Sn  Sn3  1  0.88  0.0  0.04  1.0

data_Ba2CrSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   4.95
_cell_length_c   8.43
_cell_angle_alpha   105.22
_cell_angle_beta   90.0
_cell_angle_gamma   119.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrSn
_chemical_formula_sum   'Ba2 Cr1 Sn1'
_cell_volume   167.62
_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  0.84  0.8  1.0
  Ba  Ba1  1  0.0  0.92  0.17  1.0
  Cr  Cr2  1  0.0  0.97  0.01  1.0
  Sn  Sn3  1  0.0  0.12  0.96  1.0

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