data_[V1Cr3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6418]
_cell_length_b [3.5346]
_cell_length_c [6.2729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [VCr3As4]
_chemical_formula_sum '[V1 Cr3 As4]'
_cell_volume [125.0895]
_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
[
  V  V0  1  0.5059  0.5000  0.7056  1.0
  Cr  Cr1  1  0.0055  0.5000  0.7854  1.0
  Cr  Cr2  1  0.4949  0.0000  0.3035  1.0
  Cr  Cr3  1  0.9933  0.0000  0.2088  1.0
  As  As4  1  0.2076  0.5000  0.4147  1.0
  As  As5  1  0.2925  0.0000  0.9249  1.0
  As  As6  1  0.7020  0.5000  0.0798  1.0
  As  As7  1  0.7983  0.0000  0.5772  1.0
]