data_Mg2BeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   136.06
_cell_angle_beta   127.16
_cell_angle_gamma   71.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BeTe
_chemical_formula_sum   'Mg2 Be1 Te1'
_cell_volume   81.89
_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
  Mg  Mg1  1  0.99  0.0  0.03  1.0
  Mg  Mg2  1  0.0  0.37  0.3  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.33  1.0

data_Mg2BeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.74
_cell_length_c   5.33
_cell_angle_alpha   116.42
_cell_angle_beta   111.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BeTe
_chemical_formula_sum   'Mg2 Be1 Te1'
_cell_volume   81.89
_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
  Mg  Mg0  1  0.7  0.07  0.07  1.0
  Mg  Mg1  1  0.96  0.97  0.96  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.67  0.67  0.67  1.0

Mg Mg Be Te
Mg Mg Be Te 0 2 + o o 0 1 + o o 0 3 + o o 1 2 o o o 2 3 o o o 