data_CaZr2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.36
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZr2Sn
_chemical_formula_sum   'Ca1 Zr2 Sn1'
_cell_volume   100.28
_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  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.73  0.18  0.84  1.0
  Zr  Zr3  1  0.73  0.18  0.8  1.0
  Sn  Sn1  1  0.0  0.0  0.32  1.0

data_CaZr2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.36
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZr2Sn
_chemical_formula_sum   'Ca1 Zr2 Sn1'
_cell_volume   100.28
_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  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.73  0.18  0.8  1.0
  Zr  Zr2  1  0.73  0.18  0.84  1.0
  Sn  Sn3  1  0.0  0.0  0.32  1.0

Ca Zr Zr Sn