data_Cr3As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3As4
_chemical_formula_sum   'Cr3 As4'
_cell_volume   111.59
_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  Cr4  1  0.3  0.24  0.4  1.0
  Cr  Cr5  1  0.59  0.0  0.4  1.0
  Cr  Cr6  1  0.7  0.24  0.4  1.0
  As  As0  1  0.0  0.0  0.59  1.0
  As  As1  1  0.0  0.0  0.21  1.0
  As  As2  1  0.0  0.99  0.0  1.0
  As  As3  1  0.59  0.5  0.0  1.0

data_Cr3As4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3As4
_chemical_formula_sum   'Cr3 As4'
_cell_volume   111.59
_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  1  0.4  0.3  0.24  1.0
  Cr  Cr1  1  0.4  0.59  0.0  1.0
  Cr  Cr2  1  0.4  0.7  0.24  1.0
  As  As3  1  0.0  0.0  0.99  1.0
  As  As4  1  0.0  0.59  0.5  1.0
  As  As5  1  0.21  0.0  0.0  1.0
  As  As6  1  0.59  0.0  0.0  1.0

Cr Cr Cr As As As As