data_Ga2CoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoAs
_chemical_formula_sum   'Ga2 Co1 As1'
_cell_volume   60.43
_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
  Ga  Ga2  1  0.29  0.91  0.53  1.0
  Ga  Ga3  1  0.29  0.09  0.53  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.59  0.0  0.0  1.0

data_Ga2CoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   111.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoAs
_chemical_formula_sum   'Ga2 Co1 As1'
_cell_volume   60.43
_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
  Ga  Ga0  1  0.53  0.29  0.09  1.0
  Ga  Ga1  1  0.53  0.29  0.91  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As3  1  -0.0  0.59  0.0  1.0

Ga Ga Co As
Ga Ga Co As 0 1 o + o 0 2 o + + 0 2 o + o 0 3 o + + 0 3 o + o 1 2 o o + 1 2 o o o 1 3 o o + 1 3 o o o 2 3 - o o 