data_Cu2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   131.28
_cell_angle_beta   125.0
_cell_angle_gamma   76.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnAs
_chemical_formula_sum   'Cu2 Sn1 As1'
_cell_volume   68.85
_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
  Cu  Cu1  1  0.0  0.25  0.97  1.0
  Cu  Cu2  1  0.01  0.0  0.85  1.0
  Sn  Sn3  1  0.0  0.0  0.82  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Cu2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.49
_cell_length_c   4.86
_cell_angle_alpha   117.5
_cell_angle_beta   114.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnAs
_chemical_formula_sum   'Cu2 Sn1 As1'
_cell_volume   68.85
_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
  Cu  Cu0  1  0.03  0.28  0.28  1.0
  Cu  Cu1  1  0.16  0.15  0.16  1.0
  Sn  Sn2  1  0.18  0.18  0.18  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Cu Cu Sn As