data_CaAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAsCl2
_chemical_formula_sum   'Ca1 As1 Cl2'
_cell_volume   91.01
_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  Ca1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.38  0.0  0.0  1.0
  Cl  Cl2  1  0.69  0.27  0.95  1.0
  Cl  Cl3  1  0.69  0.73  0.95  1.0

data_CaAsCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.9
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaAsCl2
_chemical_formula_sum   'Ca1 As1 Cl2'
_cell_volume   91.03
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  As  As1  1  0.0  0.0  0.38  1.0
  Cl  Cl2  2  0.95  0.27  0.69  1.0

Ca As Cl Cl