data_BeAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.87
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   94.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgAs2
_chemical_formula_sum   'Be1 Ag1 As2'
_cell_volume   71.89
_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  Be3  1  0.82  0.0  0.42  1.0
  Ag  Ag0  1  0.37  0.94  0.58  1.0
  As  As1  1  0.64  0.0  0.05  1.0
  As  As2  1  0.95  0.94  0.12  1.0

data_BeAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.87
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   94.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgAs2
_chemical_formula_sum   'Be1 Ag1 As2'
_cell_volume   71.89
_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  0.82  0.0  0.42  1.0
  Ag  Ag1  1  0.37  0.94  0.58  1.0
  As  As2  1  0.64  0.0  0.05  1.0
  As  As3  1  0.95  0.94  0.12  1.0

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