data_Be2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   137.92
_cell_angle_beta   137.92
_cell_angle_gamma   61.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeMo
_chemical_formula_sum   'Be2 Te1 Mo1'
_cell_volume   56.05
_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  0.0  1.0
  Be  Be1  1  0.8  0.0  0.16  1.0
  Te  Te3  1  0.0  0.8  0.16  1.0
  Mo  Mo2  1  0.0  0.0  0.32  1.0

data_Be2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   5.02
_cell_angle_alpha   111.04
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeMo
_chemical_formula_sum   'Be2 Te1 Mo1'
_cell_volume   56.05
_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  0.0  1.0
  Be  Be1  1  0.16  0.36  0.36  1.0
  Te  Te2  1  0.36  0.16  0.36  1.0
  Mo  Mo3  1  0.32  0.32  0.32  1.0

Be Be Te Mo