data_CaBe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.55
_cell_angle_alpha   110.91
_cell_angle_beta   110.91
_cell_angle_gamma   58.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBe2Ag
_chemical_formula_sum   'Ca1 Be2 Ag1'
_cell_volume   72.36
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.09  0.0  0.82  1.0
  Be  Be2  1  0.79  0.0  0.25  1.0
  Ag  Ag0  1  0.44  0.0  0.53  1.0

data_CaBe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.09
_cell_length_c   5.55
_cell_angle_alpha   110.91
_cell_angle_beta   90.0
_cell_angle_gamma   119.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBe2Ag
_chemical_formula_sum   'Ca1 Be2 Ag1'
_cell_volume   72.36
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.21  0.75  1.0
  Be  Be2  1  0.0  0.91  0.18  1.0
  Ag  Ag3  1  0.0  0.56  0.47  1.0

Ca Be Be Ag