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   138.1
_cell_angle_beta   137.75
_cell_angle_gamma   61.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeMo
_chemical_formula_sum   'Be2 Te1 Mo1'
_cell_volume   56.1
_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  0.28  1.0
  Be  Be1  1  0.79  0.0  0.21  1.0
  Te  Te3  1  0.0  0.81  0.13  1.0
  Mo  Mo2  1  0.0  0.0  0.62  1.0

data_Be2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.62
_cell_length_c   5.02
_cell_angle_alpha   111.12
_cell_angle_beta   110.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeMo
_chemical_formula_sum   'Be2 Te1 Mo1'
_cell_volume   56.1
_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  0.21  0.41  1.0
  Be  Be1  1  0.0  0.28  0.28  1.0
  Te  Te2  1  0.19  0.32  0.32  1.0
  Mo  Mo3  1  0.0  0.62  0.62  1.0

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