data_GaCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.57
_cell_angle_alpha   108.85
_cell_angle_beta   108.85
_cell_angle_gamma   36.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoAs2
_chemical_formula_sum   'Ga1 Co1 As2'
_cell_volume   68.55
_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  Ga3  1  0.59  0.0  0.99  1.0
  Co  Co2  1  0.16  0.0  0.95  1.0
  As  As0  1  0.72  0.0  0.07  1.0
  As  As1  1  0.06  0.0  0.83  1.0

data_GaCoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.71
_cell_length_c   5.57
_cell_angle_alpha   108.85
_cell_angle_beta   90.0
_cell_angle_gamma   108.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoAs2
_chemical_formula_sum   'Ga1 Co1 As2'
_cell_volume   68.55
_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  0.0  0.41  0.01  1.0
  Co  Co1  1  0.0  0.84  0.05  1.0
  As  As2  1  0.0  0.28  0.93  1.0
  As  As3  1  0.0  0.94  0.17  1.0

Ga Co As As