data_BeCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   2.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrCu2
_chemical_formula_sum   'Be1 Cr1 Cu2'
_cell_volume   44.79
_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
  Cr  Cr1  1  0.47  0.0  0.0  1.0
  Cu  Cu2  1  0.24  0.11  0.19  1.0
  Cu  Cu3  1  0.24  0.89  0.19  1.0

data_BeCrCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.39
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   113.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrCu2
_chemical_formula_sum   'Be1 Cr1 Cu2'
_cell_volume   44.79
_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
  Cr  Cr1  1  -0.0  0.47  0.0  1.0
  Cu  Cu2  1  0.19  0.24  0.11  1.0
  Cu  Cu3  1  0.19  0.24  0.89  1.0

Be Cr Cu Cu