data_Be2CrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   19.77
_cell_angle_beta   19.77
_cell_angle_gamma   19.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrRh
_chemical_formula_sum   'Be2 Cr1 Rh1'
_cell_volume   44.68
_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  0.9  1.0
  Be  Be1  1  0.0  0.0  0.58  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.24  1.0

data_Be2CrRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   2.62
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2CrRh
_chemical_formula_sum   'Be4 Cr2 Rh2'
_cell_volume   89.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.1  1.0
  Be  Be1  2  0.0  0.0  0.42  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  Rh  Rh3  2  0.0  0.0  0.76  1.0

Be Be Cr Rh
Be Be Cr Rh 0 2 o o + 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o o 