data_LaBeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.91
_cell_angle_alpha   108.75
_cell_angle_beta   108.75
_cell_angle_gamma   59.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeCr2
_chemical_formula_sum   'La1 Be1 Cr2'
_cell_volume   73.98
_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
  La  La3  1  0.37  0.0  0.83  1.0
  Be  Be0  1  0.56  0.0  0.46  1.0
  Cr  Cr1  1  0.65  0.0  0.26  1.0
  Cr  Cr2  1  0.08  0.0  0.18  1.0

data_LaBeCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.95
_cell_length_c   5.91
_cell_angle_alpha   108.75
_cell_angle_beta   90.0
_cell_angle_gamma   119.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeCr2
_chemical_formula_sum   'La1 Be1 Cr2'
_cell_volume   73.98
_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
  La  La0  1  0.0  0.63  0.17  1.0
  Be  Be1  1  0.0  0.44  0.54  1.0
  Cr  Cr2  1  0.0  0.35  0.74  1.0
  Cr  Cr3  1  0.0  0.92  0.82  1.0

La Be Cr Cr