data_Ca2Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   39.09
_cell_angle_beta   39.09
_cell_angle_gamma   39.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ag3
_chemical_formula_sum   'Ca2 Ag3'
_cell_volume   130.67
_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  0.69  1.0
  Ca  Ca4  1  0.0  0.0  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.07  1.0
  Ag  Ag2  1  0.0  0.0  0.72  1.0

data_Ca2Ag3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.29
_cell_length_b   4.78
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   112.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2Ag3
_chemical_formula_sum   'Ca4 Ag6'
_cell_volume   261.35
_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
  Ca  Ca0  2  0.0  0.0  0.31  1.0
  Ca  Ca1  2  0.0  0.0  0.91  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  2  0.0  0.0  0.28  1.0
  Ag  Ag4  2  0.0  0.0  0.93  1.0

Ca Ca Ag Ag Ag