data_GaCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   2.91
_cell_angle_alpha   91.25
_cell_angle_beta   91.25
_cell_angle_gamma   89.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2As
_chemical_formula_sum   'Ga1 Co2 As1'
_cell_volume   49.76
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.43  0.45  0.45  1.0
  Co  Co2  1  0.43  0.55  0.45  1.0
  As  As0  1  0.95  0.0  0.0  1.0

data_GaCo2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.91
_cell_length_b   4.14
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GaCo2As
_chemical_formula_sum   'Ga1 Co2 As1'
_cell_volume   49.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Co  Co1  2  0.45  0.45  0.43  1.0
  As  As2  1  0.0  0.0  0.95  1.0

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