data_BeMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   146.21
_cell_angle_beta   128.75
_cell_angle_gamma   62.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoRh2
_chemical_formula_sum   'Be1 Mo1 Rh2'
_cell_volume   53.18
_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  0.12  1.0
  Mo  Mo1  1  0.0  0.16  0.97  1.0
  Rh  Rh2  1  0.0  0.0  0.03  1.0
  Rh  Rh3  1  0.45  0.0  0.38  1.0

data_BeMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.31
_cell_length_c   4.99
_cell_angle_alpha   115.62
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoRh2
_chemical_formula_sum   'Be1 Mo1 Rh2'
_cell_volume   53.18
_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  0.88  0.88  0.88  1.0
  Mo  Mo1  1  0.03  0.18  0.18  1.0
  Rh  Rh2  1  0.07  0.62  0.07  1.0
  Rh  Rh3  1  0.97  0.97  0.97  1.0

Be Mo Rh Rh