data_ScMnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.65
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   99.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnAs2
_chemical_formula_sum   'Sc1 Mn1 As2'
_cell_volume   72.17
_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
  Mn  Mn2  1  0.1  0.0  0.06  1.0
  As  As0  1  0.94  0.83  0.56  1.0
  As  As1  1  0.27  0.83  0.56  1.0

data_ScMnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.65
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   99.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnAs2
_chemical_formula_sum   'Sc1 Mn1 As2'
_cell_volume   72.17
_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  Sc0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.1  0.0  0.06  1.0
  As  As2  1  0.27  0.83  0.56  1.0
  As  As3  1  0.94  0.83  0.56  1.0

Sc Mn As As