data_BeInAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   153.37
_cell_angle_beta   147.75
_cell_angle_gamma   42.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInAs
_chemical_formula_sum   'Be1 In1 As1'
_cell_volume   58.94
_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  0.35  1.0
  In  In2  1  0.0  0.0  1.0  1.0
  As  As0  1  0.0  0.0  0.06  1.0

data_BeInAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.49
_cell_length_c   6.27
_cell_angle_alpha   106.12
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInAs
_chemical_formula_sum   'Be1 In1 As1'
_cell_volume   58.94
_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  0.35  0.35  1.0
  In  In1  1  0.0  1.0  1.0  1.0
  As  As2  1  0.0  0.06  0.06  1.0

Be In As