data_CaInGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.81
_cell_angle_alpha   109.48
_cell_angle_beta   109.48
_cell_angle_gamma   39.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInGe2
_chemical_formula_sum   'Ca1 In1 Ge2'
_cell_volume   95.29
_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  0.57  0.0  0.94  1.0
  In  In3  1  0.67  0.0  0.37  1.0
  Ge  Ge1  1  0.59  0.0  0.01  1.0
  Ge  Ge2  1  0.96  0.0  0.42  1.0

data_CaInGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.81
_cell_length_c   5.8
_cell_angle_alpha   109.48
_cell_angle_beta   109.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInGe2
_chemical_formula_sum   'Ca1 In1 Ge2'
_cell_volume   95.29
_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  0.94  0.57  1.0
  In  In1  1  0.0  0.37  0.67  1.0
  Ge  Ge2  1  0.0  0.01  0.59  1.0
  Ge  Ge3  1  0.0  0.42  0.96  1.0

Ca In Ge Ge