data_LaZr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   148.27
_cell_angle_beta   129.67
_cell_angle_gamma   60.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Pt
_chemical_formula_sum   'La1 Zr2 Pt1'
_cell_volume   94.88
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.69  0.0  0.98  1.0
  Zr  Zr3  1  0.0  0.63  0.36  1.0
  Pt  Pt1  1  0.0  0.0  0.34  1.0

data_LaZr2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.26
_cell_length_c   6.18
_cell_angle_alpha   115.16
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Pt
_chemical_formula_sum   'La1 Zr2 Pt1'
_cell_volume   94.88
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.64  0.27  0.27  1.0
  Zr  Zr2  1  0.71  0.02  0.71  1.0
  Pt  Pt3  1  0.66  0.66  0.66  1.0

La Zr Zr Pt