data_BeTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   3.91
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   106.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTe2As
_chemical_formula_sum   'Be1 Te2 As1'
_cell_volume   90.42
_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
  Te  Te2  1  0.95  0.96  0.82  1.0
  Te  Te3  1  0.31  0.96  0.11  1.0
  As  As0  1  0.63  0.0  0.46  1.0

data_BeTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.69
_cell_length_c   5.13
_cell_angle_alpha   106.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTe2As
_chemical_formula_sum   'Be1 Te2 As1'
_cell_volume   90.42
_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
  Te  Te1  1  0.04  0.05  0.18  1.0
  Te  Te2  1  0.04  0.69  0.89  1.0
  As  As3  1  0.0  0.37  0.54  1.0

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