data_SrTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   143.23
_cell_angle_beta   143.23
_cell_angle_gamma   52.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTe2Cl
_chemical_formula_sum   'Sr1 Te2 Cl1'
_cell_volume   119.79
_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
  Sr  Sr1  1  0.0  0.0  0.22  1.0
  Te  Te2  1  0.0  0.19  0.11  1.0
  Te  Te3  1  0.19  0.0  0.11  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SrTe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   116.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTe2Cl
_chemical_formula_sum   'Sr2 Te4 Cl2'
_cell_volume   239.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.22  0.0  0.22  1.0
  Te  Te1  4  0.02  0.1  0.92  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Sr Te Te Cl
Sr Te Te Cl 0 3 o o o 1 3 o o o 2 3 o o o 