data_LiTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   132.37
_cell_angle_beta   132.37
_cell_angle_gamma   69.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTePt2
_chemical_formula_sum   'Li1 Te1 Pt2'
_cell_volume   67.23
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.11  1.0
  Pt  Pt1  1  0.0  0.02  0.06  1.0
  Pt  Pt2  1  0.02  0.0  0.06  1.0

data_LiTePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   124.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTePt2
_chemical_formula_sum   'Li2 Te2 Pt4'
_cell_volume   134.46
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.11  1.0
  Pt  Pt2  4  0.49  0.49  0.03  1.0

Li Te Pt Pt
Li Te Pt Pt 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 