data_BeAgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   145.66
_cell_angle_beta   145.66
_cell_angle_gamma   49.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgSe
_chemical_formula_sum   'Be1 Ag1 Se1'
_cell_volume   52.63
_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  0.87  1.0
  Ag  Ag0  1  0.0  0.0  0.9  1.0
  Se  Se2  1  0.0  0.0  0.21  1.0

data_BeAgSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   114.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAgSe
_chemical_formula_sum   'Be2 Ag2 Se2'
_cell_volume   105.27
_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  0.37  0.5  0.87  1.0
  Ag  Ag1  2  0.4  0.5  0.9  1.0
  Se  Se2  2  0.21  0.0  0.21  1.0

Be Ag Se