data_[Cr3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [17.5200]
_cell_length_b [5.1128]
_cell_length_c [17.5200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cr3As4]
_chemical_formula_sum '[Cr3 As4]'
_cell_volume [1359.1287]
_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
[
  Cr  Cr0  2  0.9794  0.2483  0.5197  1
  Cr  Cr1  1  0.0786  0.5000  0.5338  1
  As  As2  2  0.9863  0.2599  0.3878  1
  As  As3  1  0.1078  0.0000  0.6087  1
  As  As4  1  0.8822  0.5000  0.5425  1
]