data_CuSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   3.82
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnAs2
_chemical_formula_sum   'Cu1 Sn1 As2'
_cell_volume   82.36
_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  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.53  0.0  0.36  1.0
  As  As0  1  0.2  0.91  0.84  1.0
  As  As1  1  0.85  0.91  0.87  1.0

data_CuSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.58
_cell_length_c   4.95
_cell_angle_alpha   107.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnAs2
_chemical_formula_sum   'Cu1 Sn1 As2'
_cell_volume   82.36
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.47  0.64  1.0
  As  As2  1  0.09  0.15  0.13  1.0
  As  As3  1  0.09  0.8  0.16  1.0

Cu Sn As As