data_BeAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.27
_cell_angle_alpha   107.08
_cell_angle_beta   107.08
_cell_angle_gamma   102.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgTe2
_chemical_formula_sum   'Be1 Ag1 Te2'
_cell_volume   93.75
_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  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.15  0.0  0.0  1.0
  Te  Te2  1  0.57  0.98  0.88  1.0
  Te  Te3  1  0.57  0.02  0.88  1.0

data_BeAgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   102.85
_cell_angle_beta   107.08
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgTe2
_chemical_formula_sum   'Be1 Ag1 Te2'
_cell_volume   93.75
_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
  Ag  Ag1  1  0.0  0.15  0.0  1.0
  Te  Te2  1  0.88  0.57  0.02  1.0
  Te  Te3  1  0.88  0.57  0.98  1.0

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