data_KCa2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   6.27
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2In
_chemical_formula_sum   'K1 Ca2 In1'
_cell_volume   175.49
_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
  K  K3  1  0.97  0.0  0.41  1.0
  Ca  Ca0  1  0.0  0.14  0.01  1.0
  Ca  Ca1  1  0.56  0.0  0.82  1.0
  In  In2  1  0.27  0.14  0.61  1.0

data_KCa2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   6.27
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2In
_chemical_formula_sum   'K1 Ca2 In1'
_cell_volume   175.49
_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
  K  K0  1  0.97  0.0  0.41  1.0
  Ca  Ca1  1  0.0  0.14  0.01  1.0
  Ca  Ca2  1  0.56  0.0  0.82  1.0
  In  In3  1  0.27  0.14  0.61  1.0

K Ca Ca In