data_Be2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.11
_cell_angle_alpha   105.65
_cell_angle_beta   105.65
_cell_angle_gamma   117.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeMo
_chemical_formula_sum   'Be2 Te1 Mo1'
_cell_volume   61.54
_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  0.33  0.18  0.0  1.0
  Be  Be1  1  0.33  0.82  0.0  1.0
  Te  Te3  1  0.65  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Be2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.54
_cell_length_c   5.11
_cell_angle_alpha   114.89
_cell_angle_beta   105.65
_cell_angle_gamma   94.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeMo
_chemical_formula_sum   'Be2 Te1 Mo1'
_cell_volume   61.54
_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  0.18  0.18  0.51  1.0
  Be  Be1  1  0.82  0.82  0.14  1.0
  Te  Te2  1  0.0  0.0  0.65  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Be Be Te Mo