data_BeAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   152.87
_cell_angle_beta   139.12
_cell_angle_gamma   49.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2As
_chemical_formula_sum   'Be1 Ag2 As1'
_cell_volume   67.28
_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  0.0  0.0  0.22  1.0
  Ag  Ag0  1  0.0  0.13  0.79  1.0
  Ag  Ag1  1  0.0  0.0  0.8  1.0
  As  As2  1  0.0  0.13  0.78  1.0

data_BeAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.26
_cell_length_c   6.09
_cell_angle_alpha   110.44
_cell_angle_beta   103.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAg2As
_chemical_formula_sum   'Be1 Ag2 As1'
_cell_volume   67.28
_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  0.22  0.22  1.0
  Ag  Ag1  1  0.0  0.8  0.8  1.0
  Ag  Ag2  1  0.87  0.67  0.67  1.0
  As  As3  1  0.87  0.65  0.65  1.0

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