data_Zr2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.39
_cell_angle_alpha   98.8
_cell_angle_beta   98.8
_cell_angle_gamma   100.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnAs
_chemical_formula_sum   'Zr2 Sn1 As1'
_cell_volume   85.93
_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
  Zr  Zr2  1  0.24  0.02  0.65  1.0
  Zr  Zr3  1  0.24  0.98  0.65  1.0
  Sn  Sn1  1  0.3  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Zr2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   100.44
_cell_angle_beta   98.8
_cell_angle_gamma   98.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnAs
_chemical_formula_sum   'Zr2 Sn1 As1'
_cell_volume   85.93
_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
  Zr  Zr0  1  0.65  0.24  0.98  1.0
  Zr  Zr1  1  0.65  0.24  0.02  1.0
  Sn  Sn2  1  0.0  0.3  0.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Zr Sn As