data_BeCrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   147.13
_cell_angle_beta   128.3
_cell_angle_gamma   62.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrMo
_chemical_formula_sum   'Be1 Cr1 Mo1'
_cell_volume   37.55
_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  0.04  1.0
  Cr  Cr1  1  0.0  0.0  0.02  1.0
  Mo  Mo2  1  0.0  0.0  0.57  1.0

data_BeCrMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   3.89
_cell_length_c   4.47
_cell_angle_alpha   115.85
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrMo
_chemical_formula_sum   'Be1 Cr1 Mo1'
_cell_volume   37.55
_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  0.04  0.04  1.0
  Cr  Cr1  1  0.0  0.02  0.02  1.0
  Mo  Mo2  1  0.0  0.57  0.57  1.0

Be Cr Mo