data_CoSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   6.02
_cell_angle_alpha   106.6
_cell_angle_beta   106.6
_cell_angle_gamma   47.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSnAs2
_chemical_formula_sum   'Co1 Sn1 As2'
_cell_volume   78.62
_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
  Co  Co2  1  0.55  0.0  0.75  1.0
  Sn  Sn3  1  0.93  0.0  0.55  1.0
  As  As0  1  0.43  0.0  0.44  1.0
  As  As1  1  0.23  0.0  0.57  1.0

data_CoSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.31
_cell_length_c   6.02
_cell_angle_alpha   106.6
_cell_angle_beta   90.0
_cell_angle_gamma   113.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSnAs2
_chemical_formula_sum   'Co1 Sn1 As2'
_cell_volume   78.62
_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
  Co  Co0  1  0.0  0.45  0.25  1.0
  Sn  Sn1  1  0.0  0.07  0.45  1.0
  As  As2  1  0.0  0.57  0.56  1.0
  As  As3  1  0.0  0.77  0.43  1.0

Co Sn As As