data_Ca2FeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.15
_cell_angle_alpha   102.76
_cell_angle_beta   102.76
_cell_angle_gamma   42.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeAg
_chemical_formula_sum   'Ca2 Fe1 Ag1'
_cell_volume   94.84
_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  Ca1  1  0.37  0.0  0.37  1.0
  Ca  Ca2  1  0.21  0.0  0.6  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.79  0.0  0.99  1.0

data_Ca2FeAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.85
_cell_length_c   6.15
_cell_angle_alpha   102.76
_cell_angle_beta   90.0
_cell_angle_gamma   111.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeAg
_chemical_formula_sum   'Ca2 Fe1 Ag1'
_cell_volume   94.84
_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  0.63  0.63  1.0
  Ca  Ca1  1  0.0  0.79  0.4  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.21  0.01  1.0

Ca Ca Fe Ag