data_BeTeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   149.38
_cell_angle_beta   149.38
_cell_angle_gamma   43.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTeAs
_chemical_formula_sum   'Be1 Te1 As1'
_cell_volume   63.15
_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  0.1  1.0
  Te  Te2  1  0.0  0.0  0.63  1.0
  As  As0  1  0.0  0.0  0.47  1.0

data_BeTeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   111.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTeAs
_chemical_formula_sum   'Be2 Te2 As2'
_cell_volume   126.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.1  0.0  0.1  1.0
  Te  Te1  2  0.13  0.5  0.63  1.0
  As  As2  2  0.47  0.0  0.47  1.0

Be Te As