data_BeCuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   136.19
_cell_angle_beta   134.15
_cell_angle_gamma   65.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuTe
_chemical_formula_sum   'Be1 Cu1 Te1'
_cell_volume   50.08
_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  0.08  1.0
  Cu  Cu1  1  0.0  0.0  0.15  1.0
  Te  Te2  1  0.0  0.0  0.65  1.0

data_BeCuTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.64
_cell_length_c   4.68
_cell_angle_alpha   112.92
_cell_angle_beta   111.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuTe
_chemical_formula_sum   'Be1 Cu1 Te1'
_cell_volume   50.08
_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  0.92  0.92  0.92  1.0
  Cu  Cu1  1  0.85  0.85  0.85  1.0
  Te  Te2  1  0.35  0.35  0.35  1.0

Be Cu Te
Be Cu Te 0 1 o o o 0 2 o o - 1 2 o o o 1 2 o o - 