data_YBeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   137.81
_cell_angle_beta   137.81
_cell_angle_gamma   61.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeMo2
_chemical_formula_sum   'Y1 Be1 Mo2'
_cell_volume   69.7
_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
  Y  Y3  1  0.0  0.0  0.64  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.94  0.0  0.32  1.0
  Mo  Mo2  1  0.0  0.94  0.32  1.0

data_YBeMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   120.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBeMo2
_chemical_formula_sum   'Y2 Be2 Mo4'
_cell_volume   139.4
_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
  Y  Y0  2  0.36  0.0  0.36  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  4  0.15  0.47  0.62  1.0

Y Be Mo Mo
Y Be Mo Mo 0 2 - o o 0 3 o - o 0 1 o o + 1 2 - o o 1 3 o - o 2 3 + - o 