data_CaGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.19
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   95.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeSb2
_chemical_formula_sum   'Ca1 Ge1 Sb2'
_cell_volume   105.85
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.69  0.0  0.11  1.0
  Sb  Sb2  1  0.46  0.1  0.56  1.0
  Sb  Sb3  1  0.97  0.1  0.66  1.0

data_CaGeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.19
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   95.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeSb2
_chemical_formula_sum   'Ca1 Ge1 Sb2'
_cell_volume   105.85
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.69  0.0  0.11  1.0
  Sb  Sb2  1  0.46  0.1  0.56  1.0
  Sb  Sb3  1  0.97  0.1  0.66  1.0

Ca Ge Sb Sb