data_Ca2TlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   5.47
_cell_angle_alpha   106.95
_cell_angle_beta   106.95
_cell_angle_gamma   35.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TlAg
_chemical_formula_sum   'Ca2 Tl1 Ag1'
_cell_volume   113.62
_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  0.16  0.0  0.32  1.0
  Ca  Ca2  1  0.56  0.0  0.64  1.0
  Tl  Tl3  1  0.72  0.0  0.75  1.0
  Ag  Ag0  1  0.62  0.0  0.11  1.0

data_Ca2TlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.47
_cell_length_c   6.14
_cell_angle_alpha   106.95
_cell_angle_beta   107.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TlAg
_chemical_formula_sum   'Ca2 Tl1 Ag1'
_cell_volume   113.62
_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  0.32  0.16  1.0
  Ca  Ca1  1  0.0  0.64  0.56  1.0
  Tl  Tl2  1  0.0  0.75  0.72  1.0
  Ag  Ag3  1  0.0  0.11  0.62  1.0

Ca Ca Tl Ag