data_BeTeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.6
_cell_length_c   2.97
_cell_angle_alpha   80.31
_cell_angle_beta   74.08
_cell_angle_gamma   25.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTeMo
_chemical_formula_sum   'Be1 Te1 Mo1'
_cell_volume   53.97
_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  0.81  0.35  0.34  1.0
  Te  Te2  1  0.81  0.35  0.13  1.0
  Mo  Mo1  1  0.81  0.35  0.21  1.0

data_BeTeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.63
_cell_length_b   12.68
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   127.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTeMo
_chemical_formula_sum   'Be2 Te2 Mo2'
_cell_volume   107.94
_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  0.5  0.0  0.84  1.0
  Te  Te1  2  0.21  0.5  0.05  1.0
  Mo  Mo2  2  0.13  0.5  0.98  1.0

Be Te Mo
Be Te Mo 0 2 o o o 1 2 o o o 