data_CaInGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.38
_cell_angle_alpha   109.18
_cell_angle_beta   109.18
_cell_angle_gamma   45.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInGe2
_chemical_formula_sum   'Ca1 In1 Ge2'
_cell_volume   96.6
_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
  In  In3  1  0.85  0.0  0.51  1.0
  Ge  Ge1  1  0.63  0.0  0.64  1.0
  Ge  Ge2  1  0.06  0.0  0.38  1.0

data_CaInGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   5.2
_cell_length_c   5.38
_cell_angle_alpha   109.18
_cell_angle_beta   90.0
_cell_angle_gamma   112.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInGe2
_chemical_formula_sum   'Ca1 In1 Ge2'
_cell_volume   96.6
_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
  In  In1  1  0.0  0.15  0.49  1.0
  Ge  Ge2  1  0.0  0.37  0.36  1.0
  Ge  Ge3  1  0.0  0.94  0.62  1.0

Ca In Ge Ge