data_Cu2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.87
_cell_angle_alpha   100.58
_cell_angle_beta   100.58
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2MoAs
_chemical_formula_sum   'Cu2 Mo1 As1'
_cell_volume   56.87
_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  Cu1  1  0.98  0.0  0.18  1.0
  Cu  Cu2  1  0.34  0.0  0.0  1.0
  Mo  Mo3  1  0.87  0.0  0.5  1.0
  As  As0  1  0.54  0.0  0.49  1.0

data_Cu2MoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.58
_cell_length_c   4.87
_cell_angle_alpha   100.58
_cell_angle_beta   90.0
_cell_angle_gamma   107.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2MoAs
_chemical_formula_sum   'Cu2 Mo1 As1'
_cell_volume   56.87
_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  0.0  0.02  0.82  1.0
  Cu  Cu1  1  0.0  0.66  1.0  1.0
  Mo  Mo2  1  0.0  0.13  0.5  1.0
  As  As3  1  0.0  0.46  0.51  1.0

Cu Cu Mo As