data_CaAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   140.46
_cell_angle_beta   134.69
_cell_angle_gamma   61.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgSb2
_chemical_formula_sum   'Ca1 Ag1 Sb2'
_cell_volume   102.25
_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  0.89  1.0
  Ag  Ag0  1  0.07  0.0  0.04  1.0
  Sb  Sb2  1  0.07  0.0  0.17  1.0
  Sb  Sb3  1  0.0  0.0  0.64  1.0

data_CaAgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.71
_cell_length_c   6.11
_cell_angle_alpha   112.66
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgSb2
_chemical_formula_sum   'Ca1 Ag1 Sb2'
_cell_volume   102.25
_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  0.89  0.89  1.0
  Ag  Ag1  1  0.0  0.04  0.97  1.0
  Sb  Sb2  1  0.0  0.17  0.1  1.0
  Sb  Sb3  1  0.0  0.64  0.64  1.0

Ca Ag Sb Sb