data_Ca2InCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   8.55
_cell_angle_alpha   104.61
_cell_angle_beta   104.61
_cell_angle_gamma   58.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2InCl
_chemical_formula_sum   'Ca2 In1 Cl1'
_cell_volume   116.29
_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  0.64  0.0  0.96  1.0
  Ca  Ca1  1  0.99  0.0  0.22  1.0
  In  In3  1  0.32  0.0  0.09  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Ca2InCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.08
_cell_length_c   8.49
_cell_angle_alpha   76.91
_cell_angle_beta   76.37
_cell_angle_gamma   60.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2InCl
_chemical_formula_sum   'Ca2 In1 Cl1'
_cell_volume   116.29
_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  0.68  0.96  1.0
  Ca  Ca1  1  0.0  0.78  0.22  1.0
  In  In2  1  0.0  0.23  0.09  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ca Ca In Cl