data_BeCr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   4.61
_cell_angle_alpha   93.99
_cell_angle_beta   93.99
_cell_angle_gamma   32.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Cu
_chemical_formula_sum   'Be1 Cr2 Cu1'
_cell_volume   44.28
_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  0.04  0.0  0.16  1.0
  Cr  Cr1  1  0.73  0.0  0.58  1.0
  Cr  Cr2  1  0.72  0.0  0.54  1.0
  Cu  Cu3  1  0.86  0.0  0.21  1.0

data_BeCr2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.37
_cell_length_b   4.23
_cell_length_c   4.61
_cell_angle_alpha   93.99
_cell_angle_beta   90.0
_cell_angle_gamma   106.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Cu
_chemical_formula_sum   'Be1 Cr2 Cu1'
_cell_volume   44.28
_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  0.96  0.84  1.0
  Cr  Cr1  1  0.0  0.27  0.42  1.0
  Cr  Cr2  1  0.0  0.28  0.46  1.0
  Cu  Cu3  1  0.0  0.14  0.79  1.0

Be Cr Cr Cu