data_CaBeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   36.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBeAg2
_chemical_formula_sum   'Ca1 Be1 Ag2'
_cell_volume   81.7
_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
  Ca  Ca3  1  0.12  0.0  0.59  1.0
  Be  Be2  1  0.0  0.0  0.51  1.0
  Ag  Ag0  1  0.0  0.0  0.14  1.0
  Ag  Ag1  1  0.12  0.0  0.54  1.0

data_CaBeAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.23
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBeAg2
_chemical_formula_sum   'Ca1 Be1 Ag2'
_cell_volume   81.7
_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
  Ca  Ca0  1  0.41  0.12  0.41  1.0
  Be  Be1  1  0.49  0.0  0.49  1.0
  Ag  Ag2  1  0.46  0.12  0.46  1.0
  Ag  Ag3  1  0.86  0.0  0.86  1.0

Ca Be Ag Ag