data_Be2CuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   134.95
_cell_angle_beta   129.87
_cell_angle_gamma   69.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuSe
_chemical_formula_sum   'Be2 Cu1 Se1'
_cell_volume   50.24
_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  0.74  0.0  0.88  1.0
  Be  Be1  1  0.0  0.93  0.86  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.74  1.0

data_Be2CuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.86
_cell_length_c   4.55
_cell_angle_alpha   115.06
_cell_angle_beta   112.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuSe
_chemical_formula_sum   'Be2 Cu1 Se1'
_cell_volume   50.24
_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  0.88  0.14  1.0
  Be  Be1  1  0.07  0.93  0.93  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.74  0.74  1.0

Be Be Cu Se