data_Ca2SiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   135.54
_cell_angle_beta   110.15
_cell_angle_gamma   86.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SiCl
_chemical_formula_sum   'Ca2 Si1 Cl1'
_cell_volume   106.38
_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  0.09  0.0  0.17  1.0
  Ca  Ca1  1  0.0  0.16  0.85  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.02  1.0

data_Ca2SiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   69.85
_cell_angle_beta   67.77
_cell_angle_gamma   67.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SiCl
_chemical_formula_sum   'Ca2 Si1 Cl1'
_cell_volume   106.38
_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  0.08  0.09  0.83  1.0
  Ca  Ca1  1  0.85  -0.0  0.31  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.02  0.0  0.98  1.0

Ca Ca Si Cl