data_BeCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.75
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuSn2
_chemical_formula_sum   'Be1 Cu1 Sn2'
_cell_volume   74.63
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.39  0.0  0.19  1.0
  Sn  Sn2  1  0.75  0.88  0.82  1.0
  Sn  Sn3  1  0.15  0.88  0.57  1.0

data_BeCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.75
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuSn2
_chemical_formula_sum   'Be1 Cu1 Sn2'
_cell_volume   74.63
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.39  0.0  0.19  1.0
  Sn  Sn2  1  0.15  0.88  0.57  1.0
  Sn  Sn3  1  0.75  0.88  0.82  1.0

Be Cu Sn Sn