data_LiCaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.98
_cell_angle_alpha   103.6
_cell_angle_beta   103.6
_cell_angle_gamma   30.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaPt2
_chemical_formula_sum   'Li1 Ca1 Pt2'
_cell_volume   73.69
_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  Li1  1  0.4  0.0  0.87  1.0
  Ca  Ca0  1  0.86  0.0  0.73  1.0
  Pt  Pt2  1  0.23  0.0  0.23  1.0
  Pt  Pt3  1  0.04  0.0  0.41  1.0

data_LiCaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.98
_cell_length_c   5.46
_cell_angle_alpha   103.6
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaPt2
_chemical_formula_sum   'Li1 Ca1 Pt2'
_cell_volume   73.69
_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  0.87  0.4  1.0
  Ca  Ca1  1  0.0  0.73  0.86  1.0
  Pt  Pt2  1  0.0  0.23  0.23  1.0
  Pt  Pt3  1  0.0  0.41  0.04  1.0

Li Ca Pt Pt