data_CaGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.34
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGe3
_chemical_formula_sum   'Ca1 Ge3'
_cell_volume   88.82
_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  0.94  1.0
  Ge  Ge1  1  0.03  0.0  0.33  1.0
  Ge  Ge2  1  0.03  0.17  0.97  1.0
  Ge  Ge3  1  0.0  0.17  0.21  1.0

data_CaGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.34
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGe3
_chemical_formula_sum   'Ca1 Ge3'
_cell_volume   88.82
_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  0.94  1.0
  Ge  Ge1  1  0.0  0.17  0.21  1.0
  Ge  Ge2  1  0.03  0.0  0.33  1.0
  Ge  Ge3  1  0.03  0.17  0.97  1.0

Ca Ge Ge Ge