data_KCa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   149.52
_cell_angle_beta   128.82
_cell_angle_gamma   60.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Ag
_chemical_formula_sum   'K1 Ca2 Ag1'
_cell_volume   157.01
_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
  K  K3  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.94  0.0  0.92  1.0
  Ca  Ca2  1  0.0  0.18  0.44  1.0
  Ag  Ag0  1  0.0  0.0  0.36  1.0

data_KCa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   6.37
_cell_length_c   7.37
_cell_angle_alpha   115.59
_cell_angle_beta   105.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Ag
_chemical_formula_sum   'K1 Ca2 Ag1'
_cell_volume   157.01
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.02  0.08  0.02  1.0
  Ca  Ca2  1  0.56  0.75  0.75  1.0
  Ag  Ag3  1  0.64  0.64  0.64  1.0

K Ca Ca Ag