data_Ca2LaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   4.6
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaPt
_chemical_formula_sum   'Ca2 La1 Pt1'
_cell_volume   130.93
_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  0.68  0.3  0.74  1.0
  Ca  Ca1  1  0.25  0.3  0.86  1.0
  La  La2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.92  0.0  0.8  1.0

data_Ca2LaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   5.09
_cell_length_c   6.0
_cell_angle_alpha   111.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaPt
_chemical_formula_sum   'Ca2 La1 Pt1'
_cell_volume   130.93
_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  0.7  0.32  0.26  1.0
  Ca  Ca1  1  0.7  0.75  0.14  1.0
  La  La2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.08  0.2  1.0

Ca Ca La Pt