data_CaGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   5.08
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGe2Pb
_chemical_formula_sum   'Ca1 Ge2 Pb1'
_cell_volume   99.85
_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  0.48  0.0  0.44  1.0
  Ge  Ge1  1  0.37  0.54  0.44  1.0
  Ge  Ge2  1  0.89  0.0  0.5  1.0
  Pb  Pb3  1  0.46  0.54  0.48  1.0

data_CaGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.08
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGe2Pb
_chemical_formula_sum   'Ca1 Ge2 Pb1'
_cell_volume   99.85
_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  0.48  0.0  0.44  1.0
  Ge  Ge1  1  0.37  0.54  0.44  1.0
  Ge  Ge2  1  0.89  0.0  0.5  1.0
  Pb  Pb3  1  0.46  0.54  0.48  1.0

Ca Ge Ge Pb