data_GaCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.04
_cell_angle_alpha   102.31
_cell_angle_beta   102.31
_cell_angle_gamma   38.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2As
_chemical_formula_sum   'Ga1 Co2 As1'
_cell_volume   50.53
_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  0.89  0.0  0.68  1.0
  Co  Co1  1  0.64  0.0  0.63  1.0
  Co  Co2  1  0.26  0.0  0.29  1.0
  As  As0  1  0.45  0.0  0.23  1.0

data_GaCo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.04
_cell_length_c   4.56
_cell_angle_alpha   102.31
_cell_angle_beta   109.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2As
_chemical_formula_sum   'Ga1 Co2 As1'
_cell_volume   50.53
_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  0.68  0.89  1.0
  Co  Co1  1  0.0  0.29  0.26  1.0
  Co  Co2  1  0.0  0.63  0.64  1.0
  As  As3  1  0.0  0.23  0.45  1.0

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