data_Be2CrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   135.72
_cell_angle_beta   135.72
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSe
_chemical_formula_sum   'Be2 Cr1 Se1'
_cell_volume   46.18
_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
  Be  Be1  1  0.73  0.0  0.94  1.0
  Cr  Cr2  1  0.0  0.0  0.88  1.0
  Se  Se3  1  0.0  0.73  0.94  1.0

data_Be2CrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   4.58
_cell_angle_alpha   112.14
_cell_angle_beta   112.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSe
_chemical_formula_sum   'Be2 Cr1 Se1'
_cell_volume   46.18
_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
  Be  Be1  1  0.06  0.0  0.79  1.0
  Cr  Cr2  1  0.12  0.0  0.12  1.0
  Se  Se3  1  0.79  0.73  0.79  1.0

Be Be Cr Se
Be Be Cr Se 0 2 o o - 0 1 - o - 0 3 o - - 