data_Be2CrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.78
_cell_angle_alpha   106.2
_cell_angle_beta   106.2
_cell_angle_gamma   115.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSn
_chemical_formula_sum   'Be2 Cr1 Sn1'
_cell_volume   54.21
_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  0.62  0.13  0.19  1.0
  Be  Be1  1  0.62  0.87  0.19  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.69  0.0  0.0  1.0

data_Be2CrSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.59
_cell_length_c   5.02
_cell_angle_alpha   117.08
_cell_angle_beta   105.9
_cell_angle_gamma   90.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSn
_chemical_formula_sum   'Be2 Cr1 Sn1'
_cell_volume   54.21
_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  0.69  0.38  0.26  1.0
  Be  Be1  1  0.94  0.38  0.51  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  -0.0  0.31  0.31  1.0

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