data_ScCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoAs2
_chemical_formula_sum   'Sc1 Co1 As2'
_cell_volume   63.6
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.12  0.0  0.0  1.0
  As  As0  1  0.56  0.6  0.59  1.0
  As  As1  1  0.56  0.4  0.59  1.0

data_ScCoAs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.18
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScCoAs2
_chemical_formula_sum   'Sc1 Co1 As2'
_cell_volume   63.63
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.12  1.0
  As  As2  2  0.59  0.4  0.56  1.0

Sc Co As As