data_Cu2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.48
_cell_angle_alpha   98.15
_cell_angle_beta   98.15
_cell_angle_gamma   103.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiAs
_chemical_formula_sum   'Cu2 Bi1 As1'
_cell_volume   75.01
_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
  Cu  Cu2  1  0.08  0.12  0.69  1.0
  Cu  Cu3  1  0.08  0.88  0.69  1.0
  Bi  Bi1  1  0.95  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Cu2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   103.66
_cell_angle_beta   98.15
_cell_angle_gamma   98.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiAs
_chemical_formula_sum   'Cu2 Bi1 As1'
_cell_volume   75.01
_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
  Cu  Cu0  1  0.69  0.08  0.12  1.0
  Cu  Cu1  1  0.69  0.08  0.88  1.0
  Bi  Bi2  1  0.0  0.95  0.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Cu Cu Bi As