data_Be2NiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   5.08
_cell_angle_alpha   96.69
_cell_angle_beta   96.69
_cell_angle_gamma   39.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiMo
_chemical_formula_sum   'Be2 Ni1 Mo1'
_cell_volume   43.81
_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  0.29  0.0  0.04  1.0
  Be  Be1  1  0.04  0.0  1.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.16  0.0  0.52  1.0

data_Be2NiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   3.7
_cell_length_c   5.08
_cell_angle_alpha   96.69
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiMo
_chemical_formula_sum   'Be2 Ni1 Mo1'
_cell_volume   43.81
_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  0.71  0.96  1.0
  Be  Be1  1  0.0  0.96  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.84  0.48  1.0

Be Be Ni Mo