data_Be2CrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.22
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSn
_chemical_formula_sum   'Be2 Cr1 Sn1'
_cell_volume   52.1
_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
  Be  Be0  1  0.51  0.61  0.33  1.0
  Be  Be1  1  0.51  0.61  0.01  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.67  1.0

data_Be2CrSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   3.03
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Be2CrSn
_chemical_formula_sum   'Be2 Cr1 Sn1'
_cell_volume   52.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Be  Be0  1  0.61  0.5  0.01  1.0
  Be  Be1  1  0.61  0.5  0.33  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.67  1.0

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