data_Ca3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   146.94
_cell_angle_beta   64.63
_cell_angle_gamma   126.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ag
_chemical_formula_sum   'Ca3 Ag1'
_cell_volume   137.87
_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  0.0  0.0  0.48  1.0
  Ca  Ca2  1  0.94  0.55  0.37  1.0
  Ca  Ca3  1  0.94  0.45  0.37  1.0
  Ag  Ag0  1  0.0  0.76  0.06  1.0

data_Ca3Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   6.17
_cell_length_c   6.82
_cell_angle_alpha   116.91
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ag
_chemical_formula_sum   'Ca3 Ag1'
_cell_volume   137.87
_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  0.37  0.82  0.76  1.0
  Ca  Ca1  1  0.37  0.93  0.86  1.0
  Ca  Ca2  1  0.48  0.48  0.48  1.0
  Ag  Ag3  1  0.06  0.29  0.29  1.0

Ca Ca Ca Ag