data_Sc2VAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   38.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VAs
_chemical_formula_sum   'Sc2 V1 As1'
_cell_volume   76.91
_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  Sc1  1  0.0  0.0  0.35  1.0
  Sc  Sc2  1  0.01  0.0  0.32  1.0
  V  V3  1  0.0  0.0  0.81  1.0
  As  As0  1  0.01  0.0  0.38  1.0

data_Sc2VAs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.68
_cell_length_b   4.01
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2VAs
_chemical_formula_sum   'Sc2 V1 As1'
_cell_volume   76.91
_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  0.65  0.0  0.65  1.0
  Sc  Sc1  1  0.68  0.0  0.68  1.0
  V  V2  1  0.19  0.0  0.19  1.0
  As  As3  1  0.62  0.0  0.62  1.0

Sc Sc V As